N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide

C48H96N6O7 — CID 163783654

IUPACN,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide
SMILESCC(=O)CC(C)C.CC(C)CC(=O)N(C)C.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1.CNC(=O)CC(C)C
InChIInChI=1S/C10H20N2O.C10H19NO.C9H17NO2.C7H15NO.C6H13NO.C6H12O/c1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-6(2)5-7(9)8(3)4;1-5(2)4-6(8)7-3;1-5(2)4-6(3)7/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;6H,5H2,1-4H3;5H,4H2,1-3H3,(H,7,8);5H,4H2,1-3H3
InChIKeyMQSUANGWJJOUSB-UHFFFAOYSA-N
MW869.33 g/mol
LogP7.26
Rot. Bonds12

About N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide

N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide (PubChem CID 163783654) has the molecular formula C48H96N6O7 and a molecular weight of 869.33 g/mol. Its IUPAC name is N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide.

Molecular Properties

Compound NameN,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide
PubChem CID163783654
Molecular FormulaC48H96N6O7
Molecular Weight869.33 g/mol
Exact Mass868.73
IUPAC NameN,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide
SMILESCC(=O)CC(C)C.CC(C)CC(=O)N(C)C.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1.CNC(=O)CC(C)C
InChIInChI=1S/C10H20N2O.C10H19NO.C9H17NO2.C7H15NO.C6H13NO.C6H12O/c1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-6(2)5-7(9)8(3)4;1-5(2)4-6(8)7-3;1-5(2)4-6(3)7/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;6H,5H2,1-4H3;5H,4H2,1-3H3,(H,7,8);5H,4H2,1-3H3
InChIKeyMQSUANGWJJOUSB-UHFFFAOYSA-N
XLogP7.26
TPSA139.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.33
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3238740
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3415217
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 3654840
1-[(3,5-Dimethylpiperidin-1-YL)sulfonyl]-N-[2-(morpholin-4-YL)ethyl]piperidine-3-carboxamide
CID 5107017
N-[4-[9-(1-methylpiperidine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide
CID 134790054
[1-[(5-Methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 134273386
(3S)-1-[(2S)-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685703
(3S)-1-[4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685706
2-(Methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
CID 139421466
2-methyl-1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 141468226
2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
CID 141468260
N,1-dimethylpiperidine-3-carboxamide;(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone
CID 141917224

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide?
The IUPAC name of N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide (CID 163783654) is N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide.
What is the SMILES notation for N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide?
The canonical SMILES for N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide is CC(=O)CC(C)C.CC(C)CC(=O)N(C)C.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1.CNC(=O)CC(C)C.
What is the InChIKey of N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide?
The InChIKey is MQSUANGWJJOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H19NO.C9H17NO2.C7H15NO.C6H13NO.C6H12O/c1-9(2)8-10(13)12-6-4-11(3)5-7-12;1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-6(2)5-7(9)8(3)4;1-5(2)4-6(8)7-3;1-5(2)4-6(3)7/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;6H,5H2,1-4H3;5H,4H2,1-3H3,(H,7,8);5H,4H2,1-3H3.
What are the key properties of N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide?
N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide has a molecular weight of 869.33 g/mol, XLogP of 7.26, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbutanamide;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-morpholin-4-ylbutan-1-one;4-methylpentan-2-one;3-methyl-1-piperidin-1-ylbutan-1-one;N,N,3-trimethylbutanamide is sourced from PubChem (CID 163783654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).