N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide

C17H24N4O3 — CID 7215126

IUPACN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
SMILESCOc1cccc(N2C[C@@H](NC(=O)N3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C17H24N4O3/c1-19-6-8-20(9-7-19)17(23)18-13-10-16(22)21(12-13)14-4-3-5-15(11-14)24-2/h3-5,11,13H,6-10,12H2,1-2H3,(H,18,23)/t13-/m0/s1
InChIKeyRACOWKZAPONSIZ-ZDUSSCGKSA-N
MW332.40 g/mol
LogP0.76
Rot. Bonds3

About N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 7215126) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
PubChem CID7215126
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
SMILESCOc1cccc(N2C[C@@H](NC(=O)N3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C17H24N4O3/c1-19-6-8-20(9-7-19)17(23)18-13-10-16(22)21(12-13)14-4-3-5-15(11-14)24-2/h3-5,11,13H,6-10,12H2,1-2H3,(H,18,23)/t13-/m0/s1
InChIKeyRACOWKZAPONSIZ-ZDUSSCGKSA-N
XLogP0.76
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
4-hydroxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 18564205
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7244374
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
CID 43969825
4-(2-fluorophenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162495
4-(4-acetylphenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41106577
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7215119
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41106579
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 7543898

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide (CID 7215126) is N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide is COc1cccc(N2C[C@@H](NC(=O)N3CCN(C)CC3)CC2=O)c1.
What is the InChIKey of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is RACOWKZAPONSIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-6-8-20(9-7-19)17(23)18-13-10-16(22)21(12-13)14-4-3-5-15(11-14)24-2/h3-5,11,13H,6-10,12H2,1-2H3,(H,18,23)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 7215126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).