(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide

C22H26ClFN2O — CID 94020473

IUPAC(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C22H26ClFN2O/c23-21-8-2-1-6-18(21)15-26-14-4-7-19(16-26)22(27)25-13-3-5-17-9-11-20(24)12-10-17/h1-2,6,8-12,19H,3-5,7,13-16H2,(H,25,27)/t19-/m0/s1
InChIKeyBQSDCLTZGGACHC-IBGZPJMESA-N
MW388.91 g/mol
LogP4.44
Rot. Bonds7

About (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide

(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide (PubChem CID 94020473) has the molecular formula C22H26ClFN2O and a molecular weight of 388.91 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
PubChem CID94020473
Molecular FormulaC22H26ClFN2O
Molecular Weight388.91 g/mol
Exact Mass388.17
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C22H26ClFN2O/c23-21-8-2-1-6-18(21)15-26-14-4-7-19(16-26)22(27)25-13-3-5-17-9-11-20(24)12-10-17/h1-2,6,8-12,19H,3-5,7,13-16H2,(H,25,27)/t19-/m0/s1
InChIKeyBQSDCLTZGGACHC-IBGZPJMESA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 132664361
(3R)-1-[(2-chlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-3-carboxamide
CID 94021178
(3R)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020490
(3S)-1-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 94020491
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924997
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 93491776
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 93491132
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
N-(2-benzylsulfanylethyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43920746
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide (CID 94020473) is (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide is O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide?
The InChIKey is BQSDCLTZGGACHC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26ClFN2O/c23-21-8-2-1-6-18(21)15-26-14-4-7-19(16-26)22(27)25-13-3-5-17-9-11-20(24)12-10-17/h1-2,6,8-12,19H,3-5,7,13-16H2,(H,25,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide?
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide has a molecular weight of 388.91 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 94020473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).