N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C21H25ClN2O — CID 42643589

IUPACN-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25ClN2O/c1-21(18-6-3-2-4-7-18)13-5-15-24(16-21)20(25)23-14-12-17-8-10-19(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,23,25)
InChIKeyNGZGPRMVYQEQTB-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.65
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 42643589) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID42643589
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H25ClN2O/c1-21(18-6-3-2-4-7-18)13-5-15-24(16-21)20(25)23-14-12-17-8-10-19(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,23,25)
InChIKeyNGZGPRMVYQEQTB-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 42643589) is N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is NGZGPRMVYQEQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-21(18-6-3-2-4-7-18)13-5-15-24(16-21)20(25)23-14-12-17-8-10-19(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 42643589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).