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

C23H28Cl2N2O — CID 46774026

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCc1cccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C23H28Cl2N2O/c1-17-5-2-6-18(15-17)7-4-12-26-23(28)19-10-13-27(14-11-19)16-20-21(24)8-3-9-22(20)25/h2-3,5-6,8-9,15,19H,4,7,10-14,16H2,1H3,(H,26,28)
InChIKeyWYCFBTBVZMNNFQ-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.26
Rot. Bonds7

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

1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 46774026) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID46774026
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCc1cccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C23H28Cl2N2O/c1-17-5-2-6-18(15-17)7-4-12-26-23(28)19-10-13-27(14-11-19)16-20-21(24)8-3-9-22(20)25/h2-3,5-6,8-9,15,19H,4,7,10-14,16H2,1H3,(H,26,28)
InChIKeyWYCFBTBVZMNNFQ-UHFFFAOYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.26
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-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 45015752
(3R)-1-[(2-chlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-3-carboxamide
CID 94021178
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46771864
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 92680331
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 99951535
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309
1-[(2,6-dichlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43920798
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
N-[3-(2-chlorophenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140582
1-[(2,6-dichlorophenyl)methyl]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43923016
1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 45010994

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide (CID 46774026) is 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide is Cc1cccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is WYCFBTBVZMNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-17-5-2-6-18(15-17)7-4-12-26-23(28)19-10-13-27(14-11-19)16-20-21(24)8-3-9-22(20)25/h2-3,5-6,8-9,15,19H,4,7,10-14,16H2,1H3,(H,26,28).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46774026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).