N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

C23H29ClN2O — CID 43924997

IUPACN-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C23H29ClN2O/c1-2-3-7-18-11-13-21(14-12-18)25-23(27)20-9-6-15-26(17-20)16-19-8-4-5-10-22(19)24/h4-5,8,10-14,20H,2-3,6-7,9,15-17H2,1H3,(H,25,27)
InChIKeyCSBGTWYLVQFRMK-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.53
Rot. Bonds7

About N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924997) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43924997
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C23H29ClN2O/c1-2-3-7-18-11-13-21(14-12-18)25-23(27)20-9-6-15-26(17-20)16-19-8-4-5-10-22(19)24/h4-5,8,10-14,20H,2-3,6-7,9,15-17H2,1H3,(H,25,27)
InChIKeyCSBGTWYLVQFRMK-UHFFFAOYSA-N
XLogP5.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-[(2-chlorophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide
CID 43922460
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 93491646
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
1-[(2-chlorophenyl)methyl]-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 132664361
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3S)-1-[(2-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)propyl]piperidine-3-carboxamide
CID 94020473
N-(4-butylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933384
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43924997) is N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is CCCCc1ccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CSBGTWYLVQFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-2-3-7-18-11-13-21(14-12-18)25-23(27)20-9-6-15-26(17-20)16-19-8-4-5-10-22(19)24/h4-5,8,10-14,20H,2-3,6-7,9,15-17H2,1H3,(H,25,27).
What are the key properties of N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 384.95 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).