2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide

C19H23N3O2 — CID 97221761

IUPAC2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14-16(10-11-20-14)18(23)21-17(15-8-4-2-5-9-15)19(24)22-12-6-3-7-13-22/h2,4-5,8-11,17,20H,3,6-7,12-13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKMOUUTSWGWILSI-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide

2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide (PubChem CID 97221761) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
PubChem CID97221761
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14-16(10-11-20-14)18(23)21-17(15-8-4-2-5-9-15)19(24)22-12-6-3-7-13-22/h2,4-5,8-11,17,20H,3,6-7,12-13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKMOUUTSWGWILSI-KRWDZBQOSA-N
XLogP2.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
2-bromo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286741
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
CID 110354058
1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122119953
2-(4-methylphenoxy)-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 110286775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide (CID 97221761) is 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is KMOUUTSWGWILSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-16(10-11-20-14)18(23)21-17(15-8-4-2-5-9-15)19(24)22-12-6-3-7-13-22/h2,4-5,8-11,17,20H,3,6-7,12-13H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97221761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).