N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C26H26Cl2N2O — CID 43925892

IUPACN-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C26H26Cl2N2O/c27-23-14-13-21(24(28)16-23)17-30-15-7-12-22(18-30)26(31)29-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,22,25H,7,12,15,17-18H2,(H,29,31)
InChIKeyBLOGMKXNBNISKZ-UHFFFAOYSA-N
MW453.41 g/mol
LogP6.11
Rot. Bonds6

About N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43925892) has the molecular formula C26H26Cl2N2O and a molecular weight of 453.41 g/mol. Its IUPAC name is N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43925892
Molecular FormulaC26H26Cl2N2O
Molecular Weight453.41 g/mol
Exact Mass452.14
IUPAC NameN-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C26H26Cl2N2O/c27-23-14-13-21(24(28)16-23)17-30-15-7-12-22(18-30)26(31)29-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,22,25H,7,12,15,17-18H2,(H,29,31)
InChIKeyBLOGMKXNBNISKZ-UHFFFAOYSA-N
XLogP6.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93492390
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43925892) is N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BLOGMKXNBNISKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O/c27-23-14-13-21(24(28)16-23)17-30-15-7-12-22(18-30)26(31)29-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,22,25H,7,12,15,17-18H2,(H,29,31).
What are the key properties of N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 453.41 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).