N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C19H24N2O3 — CID 111661791

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C19H24N2O3/c22-13-14-9-10-16(12-14)20-19(24)18(15-6-2-1-3-7-15)21-11-5-4-8-17(21)23/h1-3,6-7,9-10,14,16,18,22H,4-5,8,11-13H2,(H,20,24)/t14-,16+,18?/m0/s1
InChIKeyKRMPBIAYWRSTMT-QJZXMCBYSA-N
MW328.41 g/mol
LogP1.79
Rot. Bonds5

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 111661791) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID111661791
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C19H24N2O3/c22-13-14-9-10-16(12-14)20-19(24)18(15-6-2-1-3-7-15)21-11-5-4-8-17(21)23/h1-3,6-7,9-10,14,16,18,22H,4-5,8,11-13H2,(H,20,24)/t14-,16+,18?/m0/s1
InChIKeyKRMPBIAYWRSTMT-QJZXMCBYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 111661791) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(N[C@@H]1C=C[C@H](CO)C1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is KRMPBIAYWRSTMT-QJZXMCBYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-13-14-9-10-16(12-14)20-19(24)18(15-6-2-1-3-7-15)21-11-5-4-8-17(21)23/h1-3,6-7,9-10,14,16,18,22H,4-5,8,11-13H2,(H,20,24)/t14-,16+,18?/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 328.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 111661791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).