(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide

C21H24Cl2N2O — CID 93490450

IUPAC(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C
InChIInChI=1S/C21H24Cl2N2O/c1-14-8-9-17(11-15(14)2)24-21(26)16-5-4-10-25(12-16)13-18-19(22)6-3-7-20(18)23/h3,6-9,11,16H,4-5,10,12-13H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyRZSPGENZHKBREF-INIZCTEOSA-N
MW391.34 g/mol
LogP5.46
Rot. Bonds4

About (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide

(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 93490450) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
PubChem CID93490450
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C
InChIInChI=1S/C21H24Cl2N2O/c1-14-8-9-17(11-15(14)2)24-21(26)16-5-4-10-25(12-16)13-18-19(22)6-3-7-20(18)23/h3,6-9,11,16H,4-5,10,12-13H2,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyRZSPGENZHKBREF-INIZCTEOSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43922058
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3R)-N-(1,2-benzothiazol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 100778359

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide (CID 93490450) is (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C.
What is the InChIKey of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is RZSPGENZHKBREF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-14-8-9-17(11-15(14)2)24-21(26)16-5-4-10-25(12-16)13-18-19(22)6-3-7-20(18)23/h3,6-9,11,16H,4-5,10,12-13H2,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 391.34 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).