N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide

C14H19N3O3 — CID 107437231

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C14H19N3O3/c1-9(10-4-3-5-11(6-10)20-2)17-14(19)12-7-16-13(18)8-15-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)/t9-,12?/m0/s1
InChIKeyHRDBAWBUSBAEEI-QHGLUPRGSA-N
MW277.32 g/mol
LogP-0.04
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide

N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437231) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107437231
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1cccc([C@H](C)NC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C14H19N3O3/c1-9(10-4-3-5-11(6-10)20-2)17-14(19)12-7-16-13(18)8-15-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)/t9-,12?/m0/s1
InChIKeyHRDBAWBUSBAEEI-QHGLUPRGSA-N
XLogP-0.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433640
trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107437231) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide is COc1cccc([C@H](C)NC(=O)C2CNC(=O)CN2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is HRDBAWBUSBAEEI-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-4-3-5-11(6-10)20-2)17-14(19)12-7-16-13(18)8-15-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)/t9-,12?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).