N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide

C15H21N3O2 — CID 107434854

IUPACN-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O2/c1-10-5-3-4-6-12(10)7-11(2)18-15(20)13-8-17-14(19)9-16-13/h3-6,11,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAOZDJYAJBFHRSW-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.13
Rot. Bonds4

About N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide

N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434854) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
PubChem CID107434854
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O2/c1-10-5-3-4-6-12(10)7-11(2)18-15(20)13-8-17-14(19)9-16-13/h3-6,11,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAOZDJYAJBFHRSW-UHFFFAOYSA-N
XLogP0.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
2-methyl-N-[1-(2-methylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 106739216
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide (CID 107434854) is N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide is Cc1ccccc1CC(C)NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide?
The InChIKey is AOZDJYAJBFHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-5-3-4-6-12(10)7-11(2)18-15(20)13-8-17-14(19)9-16-13/h3-6,11,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide?
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).