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

C22H28ClN3O — CID 46882969

IUPACN-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide
SMILESCN(C)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H28ClN3O/c1-25(2)16-14-22(18-7-4-3-5-8-18)13-6-15-26(17-22)21(27)24-20-11-9-19(23)10-12-20/h3-5,7-12H,6,13-17H2,1-2H3,(H,24,27)
InChIKeySQMRZYILEJFWLA-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.86
Rot. Bonds5

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

N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 46882969) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide
PubChem CID46882969
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide
SMILESCN(C)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H28ClN3O/c1-25(2)16-14-22(18-7-4-3-5-8-18)13-6-15-26(17-22)21(27)24-20-11-9-19(23)10-12-20/h3-5,7-12H,6,13-17H2,1-2H3,(H,24,27)
InChIKeySQMRZYILEJFWLA-UHFFFAOYSA-N
XLogP4.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide (CID 46882969) is N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide is CN(C)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is SQMRZYILEJFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-25(2)16-14-22(18-7-4-3-5-8-18)13-6-15-26(17-22)21(27)24-20-11-9-19(23)10-12-20/h3-5,7-12H,6,13-17H2,1-2H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 385.94 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).