4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide

C21H31N3O2 — CID 25480080

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
SMILESO=C(CCCN1CCCC1=O)N[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c25-20(10-5-14-24-15-6-11-21(24)26)22-19-9-4-13-23(17-19)16-12-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2,(H,22,25)/t19-/m0/s1
InChIKeyWBDKMEORFGWIEG-IBGZPJMESA-N
MW357.50 g/mol
LogP2.21
Rot. Bonds8

About 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide

4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide (PubChem CID 25480080) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
PubChem CID25480080
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
SMILESO=C(CCCN1CCCC1=O)N[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c25-20(10-5-14-24-15-6-11-21(24)26)22-19-9-4-13-23(17-19)16-12-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2,(H,22,25)/t19-/m0/s1
InChIKeyWBDKMEORFGWIEG-IBGZPJMESA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide 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

3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide (CID 25480080) is 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide is O=C(CCCN1CCCC1=O)N[C@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
The InChIKey is WBDKMEORFGWIEG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(10-5-14-24-15-6-11-21(24)26)22-19-9-4-13-23(17-19)16-12-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2,(H,22,25)/t19-/m0/s1.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide?
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide has a molecular weight of 357.50 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 25480080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).