N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H26ClN3O — CID 71768317

IUPACN-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(N2CCC(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C22H26ClN3O/c1-16-3-2-4-21(24-16)25-13-11-18(12-14-25)22(27)26(15-17-5-6-17)20-9-7-19(23)8-10-20/h2-4,7-10,17-18H,5-6,11-15H2,1H3
InChIKeyGJCZABHYBKMHNJ-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.70
Rot. Bonds5

About N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 71768317) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID71768317
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(N2CCC(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C22H26ClN3O/c1-16-3-2-4-21(24-16)25-13-11-18(12-14-25)22(27)26(15-17-5-6-17)20-9-7-19(23)8-10-20/h2-4,7-10,17-18H,5-6,11-15H2,1H3
InChIKeyGJCZABHYBKMHNJ-UHFFFAOYSA-N
XLogP4.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 71768317) is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1cccc(N2CCC(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GJCZABHYBKMHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-16-3-2-4-21(24-16)25-13-11-18(12-14-25)22(27)26(15-17-5-6-17)20-9-7-19(23)8-10-20/h2-4,7-10,17-18H,5-6,11-15H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 71768317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).