N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide

C15H21N3O3 — CID 107434346

IUPACN-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
SMILESCCC(NC(=O)C1CNC(=O)CN1)c1ccccc1OC
InChIInChI=1S/C15H21N3O3/c1-3-11(10-6-4-5-7-13(10)21-2)18-15(20)12-8-17-14(19)9-16-12/h4-7,11-12,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMBPRUYCHEZHRLJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.35
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide

N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434346) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434346
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide
SMILESCCC(NC(=O)C1CNC(=O)CN1)c1ccccc1OC
InChIInChI=1S/C15H21N3O3/c1-3-11(10-6-4-5-7-13(10)21-2)18-15(20)12-8-17-14(19)9-16-12/h4-7,11-12,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMBPRUYCHEZHRLJ-UHFFFAOYSA-N
XLogP0.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
N-[1-(2-methoxyphenyl)propyl]-4-methylpyrrolidine-3-carboxamide
CID 63715943
4-[1-(2-methoxyphenyl)propylamino]pyrrolidin-2-one
CID 114155090
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437231
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94169792
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide (CID 107434346) is N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide is CCC(NC(=O)C1CNC(=O)CN1)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is MBPRUYCHEZHRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-11(10-6-4-5-7-13(10)21-2)18-15(20)12-8-17-14(19)9-16-12/h4-7,11-12,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide?
N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).