1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide

C24H31N3O2 — CID 174456306

IUPAC1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide
SMILESNC=O.O=C1CCCCN1c1ccc(NCc2cccc(C3CCCC3)c2)cc1
InChIInChI=1S/C23H28N2O.CH3NO/c26-23-10-3-4-15-25(23)22-13-11-21(12-14-22)24-17-18-6-5-9-20(16-18)19-7-1-2-8-19;2-1-3/h5-6,9,11-14,16,19,24H,1-4,7-8,10,15,17H2;1H,(H2,2,3)
InChIKeyBMMSQJXDGLGHTN-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.57
Rot. Bonds5

About 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide

1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide (PubChem CID 174456306) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide.

Molecular Properties

Compound Name1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide
PubChem CID174456306
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide
SMILESNC=O.O=C1CCCCN1c1ccc(NCc2cccc(C3CCCC3)c2)cc1
InChIInChI=1S/C23H28N2O.CH3NO/c26-23-10-3-4-15-25(23)22-13-11-21(12-14-22)24-17-18-6-5-9-20(16-18)19-7-1-2-8-19;2-1-3/h5-6,9,11-14,16,19,24H,1-4,7-8,10,15,17H2;1H,(H2,2,3)
InChIKeyBMMSQJXDGLGHTN-UHFFFAOYSA-N
XLogP4.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide 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

1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 10294777
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide?
The IUPAC name of 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide (CID 174456306) is 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide.
What is the SMILES notation for 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide?
The canonical SMILES for 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide is NC=O.O=C1CCCCN1c1ccc(NCc2cccc(C3CCCC3)c2)cc1.
What is the InChIKey of 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide?
The InChIKey is BMMSQJXDGLGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.CH3NO/c26-23-10-3-4-15-25(23)22-13-11-21(12-14-22)24-17-18-6-5-9-20(16-18)19-7-1-2-8-19;2-1-3/h5-6,9,11-14,16,19,24H,1-4,7-8,10,15,17H2;1H,(H2,2,3).
What are the key properties of 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide?
1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide has a molecular weight of 393.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-cyclopentylphenyl)methylamino]phenyl]piperidin-2-one;formamide is sourced from PubChem (CID 174456306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).