1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one

C50H99N7O4 — CID 158326031

IUPAC1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one
SMILESCC(C)C(=O)C1CCCCN1C.CC(C)C(=O)C1CCCN(C)C1.CC(C)C(=O)C1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H22N2.3C10H19NO/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-4-11-5-7-12(8-6-11)9-10(2)3;1-8(2)10(12)9-4-6-11(3)7-5-9;1-8(2)10(12)9-5-4-6-11(3)7-9;1-8(2)10(12)9-6-4-5-7-11(9)3/h8-9H,4-7H2,1-3H3,(H,11,13);10H,4-9H2,1-3H3;3*8-9H,4-7H2,1-3H3
InChIKeyGPKLVIMVJDGTMB-UHFFFAOYSA-N
MW862.39 g/mol
LogP6.94
Rot. Bonds11

About 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one

1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 158326031) has the molecular formula C50H99N7O4 and a molecular weight of 862.39 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID158326031
Molecular FormulaC50H99N7O4
Molecular Weight862.39 g/mol
Exact Mass861.78
IUPAC Name1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one
SMILESCC(C)C(=O)C1CCCCN1C.CC(C)C(=O)C1CCCN(C)C1.CC(C)C(=O)C1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H22N2.3C10H19NO/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-4-11-5-7-12(8-6-11)9-10(2)3;1-8(2)10(12)9-4-6-11(3)7-5-9;1-8(2)10(12)9-5-4-6-11(3)7-9;1-8(2)10(12)9-6-4-5-7-11(9)3/h8-9H,4-7H2,1-3H3,(H,11,13);10H,4-9H2,1-3H3;3*8-9H,4-7H2,1-3H3
InChIKeyGPKLVIMVJDGTMB-UHFFFAOYSA-N
XLogP6.94
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.39
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one with MolForge

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Related Compounds

(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 25391103
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
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;N-[4-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]butyl]-5-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexanamide;2-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide;N-[8-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide;N-[8-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]octyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)octanamide;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54455585
N-[4-[[4-[[2-(methylamino)acetyl]amino]cyclohexyl]methyl]cyclohexyl]-3-oxo-3-[4-[4-[4-[4-[4-[4-(3-oxobutanoyl)piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]propanamide
CID 58142575
3,3,5,5,7-Pentakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,4-diazepan-2-one
CID 70511721
N-[4-[[4-[[2-(methylamino)acetyl]amino]cyclohexyl]methyl]cyclohexyl]-3-oxo-3-[4-[4-[4-[4-[4-[4-(3,4,6,7,9,10,12,13,15,16,18-undecaoxononadecanoyl)piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]piperazin-1-yl]propanamide
CID 88567728
tert-butyl 3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate;(3R)-3-(2-oxo-2-piperidin-2-ylethyl)piperidin-2-one
CID 123663960
N-(1-azabicyclo[2.2.2]octan-3-yl)-N,2-dimethyl-3-[(5R)-5-(2-methylpropanoylamino)-1-azabicyclo[2.2.2]octan-2-yl]propanamide
CID 134565752
N-methyl-2-[4-[(4S)-4-methyl-2-[(4R)-4-methyl-1-[2-[1-[2-(methylamino)-2-oxoethyl]-3-[(4R)-4-methyl-1-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethyl]piperidin-2-yl]piperidin-4-yl]ethyl]piperidin-3-yl]piperidin-1-yl]piperidin-1-yl]acetamide
CID 146332048
N-[3-[3-[4-[3-[1-[3,9-dioxo-11-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]undecyl]piperidin-4-yl]propyl]piperidin-1-yl]propanoylamino]propyl]-3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanamide
CID 157054688
4-cyclohexyl-N-propan-2-ylbutanamide;N-[[1-[2-(dimethylamino)ethyl]-4-[2-(methylamino)ethyl]piperazin-2-yl]methyl]propan-2-amine;1,4-dimethyl-N-propan-2-ylpiperazine-2-carboxamide;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-propan-2-ylpiperidine-3-carboxamide
CID 157444280
3-[4-[3-[1-[3-(3-acetamidopropylamino)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]-N-(3-aminopropyl)propanamide;1-[4-[3-[1-(7-amino-3-oxoheptyl)piperidin-4-yl]propyl]piperidin-1-yl]-11-[4-[3-(1-propylpiperidin-4-yl)propyl]piperidin-1-yl]undecane-3,9-dione
CID 157499129

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one (CID 158326031) is 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one is CC(C)C(=O)C1CCCCN1C.CC(C)C(=O)C1CCCN(C)C1.CC(C)C(=O)C1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is GPKLVIMVJDGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H22N2.3C10H19NO/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-4-11-5-7-12(8-6-11)9-10(2)3;1-8(2)10(12)9-4-6-11(3)7-5-9;1-8(2)10(12)9-5-4-6-11(3)7-9;1-8(2)10(12)9-6-4-5-7-11(9)3/h8-9H,4-7H2,1-3H3,(H,11,13);10H,4-9H2,1-3H3;3*8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one?
1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 862.39 g/mol, XLogP of 6.94, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-(1-methylpiperidin-2-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-3-yl)propan-1-one;2-methyl-1-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 158326031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).