N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide

C19H21ClN2O2 — CID 17152311

IUPACN-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-7-15(20)13-17(18)21-19(23)14-9-11-22(12-10-14)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyRYBSZPFOAJEJKL-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.20
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide (PubChem CID 17152311) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
PubChem CID17152311
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-8-7-15(20)13-17(18)21-19(23)14-9-11-22(12-10-14)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyRYBSZPFOAJEJKL-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide (CID 17152311) is N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide?
The InChIKey is RYBSZPFOAJEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-8-7-15(20)13-17(18)21-19(23)14-9-11-22(12-10-14)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).