N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide

C19H20Cl2N2O2 — CID 155551100

IUPACN-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-25-18-7-6-14(12-16(18)21)22-19(24)13-8-10-23(11-9-13)17-5-3-2-4-15(17)20/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyQWFCKUIDZKJDLC-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.86
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide (PubChem CID 155551100) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide
PubChem CID155551100
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-25-18-7-6-14(12-16(18)21)22-19(24)13-8-10-23(11-9-13)17-5-3-2-4-15(17)20/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyQWFCKUIDZKJDLC-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide (CID 155551100) is N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ccccc3Cl)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is QWFCKUIDZKJDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-25-18-7-6-14(12-16(18)21)22-19(24)13-8-10-23(11-9-13)17-5-3-2-4-15(17)20/h2-7,12-13H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 155551100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).