N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide

C16H23N3O2 — CID 107434402

IUPACN-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CNC(=O)CN1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-11(2)8-13(12-6-4-3-5-7-12)19-16(21)14-9-18-15(20)10-17-14/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCPASFOWDQPWZGD-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds5

About N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide

N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434402) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434402
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CNC(=O)CN1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-11(2)8-13(12-6-4-3-5-7-12)19-16(21)14-9-18-15(20)10-17-14/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCPASFOWDQPWZGD-UHFFFAOYSA-N
XLogP0.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
CID 74876403
N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
CID 107434346
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437231
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide (CID 107434402) is N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide is CC(C)CC(NC(=O)C1CNC(=O)CN1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is CPASFOWDQPWZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)8-13(12-6-4-3-5-7-12)19-16(21)14-9-18-15(20)10-17-14/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide?
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).