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

C21H23Cl2N3O — CID 71768330

IUPACN-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O/c22-17-5-7-18(8-6-17)26(14-15-3-4-15)21(27)16-9-12-25(13-10-16)20-19(23)2-1-11-24-20/h1-2,5-8,11,15-16H,3-4,9-10,12-14H2
InChIKeyWUBCYSSIRVGHNL-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.05
Rot. Bonds5

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

N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide (PubChem CID 71768330) has the molecular formula C21H23Cl2N3O and a molecular weight of 404.34 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide
PubChem CID71768330
Molecular FormulaC21H23Cl2N3O
Molecular Weight404.34 g/mol
Exact Mass403.12
IUPAC NameN-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O/c22-17-5-7-18(8-6-17)26(14-15-3-4-15)21(27)16-9-12-25(13-10-16)20-19(23)2-1-11-24-20/h1-2,5-8,11,15-16H,3-4,9-10,12-14H2
InChIKeyWUBCYSSIRVGHNL-UHFFFAOYSA-N
XLogP5.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide (CID 71768330) is N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide is O=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The InChIKey is WUBCYSSIRVGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O/c22-17-5-7-18(8-6-17)26(14-15-3-4-15)21(27)16-9-12-25(13-10-16)20-19(23)2-1-11-24-20/h1-2,5-8,11,15-16H,3-4,9-10,12-14H2.
What are the key properties of N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide has a molecular weight of 404.34 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71768330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).