2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

C59H122N12O4 — CID 161485540

IUPAC2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(C(=O)N1CCN(C(C)C)CC1)N(C)C.CC(C)CC(CN(C)C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(CN)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(N)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O.C15H31N3O.2C14H29N3O/c1-13(2)11-15(12-17(5)6)16(20)19-9-7-18(8-10-19)14(3)4;1-12(2)11-14(16(5)6)15(19)18-9-7-17(8-10-18)13(3)4;1-11(2)10-12(15)13(18)16-6-8-17(9-7-16)14(3,4)5;1-11(2)9-13(10-15)14(18)17-7-5-16(6-8-17)12(3)4/h13-15H,7-12H2,1-6H3;12-14H,7-11H2,1-6H3;11-12H,6-10,15H2,1-5H3;11-13H,5-10,15H2,1-4H3
InChIKeyWEXSTFYVRQQYGF-UHFFFAOYSA-N
MW1063.70 g/mol
LogP5.74
Rot. Bonds19

About 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 161485540) has the molecular formula C59H122N12O4 and a molecular weight of 1063.70 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID161485540
Molecular FormulaC59H122N12O4
Molecular Weight1063.70 g/mol
Exact Mass1062.97
IUPAC Name2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(C(=O)N1CCN(C(C)C)CC1)N(C)C.CC(C)CC(CN(C)C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(CN)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(N)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O.C15H31N3O.2C14H29N3O/c1-13(2)11-15(12-17(5)6)16(20)19-9-7-18(8-10-19)14(3)4;1-12(2)11-14(16(5)6)15(19)18-9-7-17(8-10-18)13(3)4;1-11(2)10-12(15)13(18)16-6-8-17(9-7-16)14(3,4)5;1-11(2)9-13(10-15)14(18)17-7-5-16(6-8-17)12(3)4/h13-15H,7-12H2,1-6H3;12-14H,7-11H2,1-6H3;11-12H,6-10,15H2,1-5H3;11-13H,5-10,15H2,1-4H3
InChIKeyWEXSTFYVRQQYGF-UHFFFAOYSA-N
XLogP5.74
TPSA152.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.70
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-{3-[(4-methyl-1-piperazinyl)carbonyl]-1,4'-bipiperidin-1'-yl}-2-oxoethanamine dihydrochloride
CID 56861946
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338408
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338409
N-[5-[[2-[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 54531064
N-[6-[[2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 58003096
N-[3-[[2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 59345609
N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 59345625
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 59345634
(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
CID 91373160
N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one
CID 91491188
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (CID 161485540) is 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is CC(C)CC(C(=O)N1CCN(C(C)C)CC1)N(C)C.CC(C)CC(CN(C)C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(CN)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(N)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is WEXSTFYVRQQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.C15H31N3O.2C14H29N3O/c1-13(2)11-15(12-17(5)6)16(20)19-9-7-18(8-10-19)14(3)4;1-12(2)11-14(16(5)6)15(19)18-9-7-17(8-10-18)13(3)4;1-11(2)10-12(15)13(18)16-6-8-17(9-7-16)14(3,4)5;1-11(2)9-13(10-15)14(18)17-7-5-16(6-8-17)12(3)4/h13-15H,7-12H2,1-6H3;12-14H,7-11H2,1-6H3;11-12H,6-10,15H2,1-5H3;11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 1063.70 g/mol, XLogP of 5.74, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methylpentan-1-one;2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-[(dimethylamino)methyl]-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 161485540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).