1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide

C20H31ClN2O — CID 118726855

IUPAC1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN2O/c1-3-4-5-6-16(2)22-20(24)18-11-13-23(14-12-18)15-17-7-9-19(21)10-8-17/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyYONMFMTXEOLUIW-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.64
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide (PubChem CID 118726855) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
PubChem CID118726855
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H31ClN2O/c1-3-4-5-6-16(2)22-20(24)18-11-13-23(14-12-18)15-17-7-9-19(21)10-8-17/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyYONMFMTXEOLUIW-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-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

Carpropamide
CID 449402
Carpropamid
CID 153847
Ono-1603
CID 9797271
Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide
CID 44288646
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide (CID 118726855) is 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide is CCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
The InChIKey is YONMFMTXEOLUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O/c1-3-4-5-6-16(2)22-20(24)18-11-13-23(14-12-18)15-17-7-9-19(21)10-8-17/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide has a molecular weight of 350.93 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 118726855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).