(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H24ClN3O — CID 90654578

IUPAC(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H24ClN3O/c1-15-4-2-6-19(23-15)24-13-3-5-17(14-24)20(25)22-12-11-16-7-9-18(21)10-8-16/h2,4,6-10,17H,3,5,11-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyQPDMHBLMXHJYJC-QGZVFWFLSA-N
MW357.89 g/mol
LogP3.62
Rot. Bonds5

About (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 90654578) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID90654578
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H24ClN3O/c1-15-4-2-6-19(23-15)24-13-3-5-17(14-24)20(25)22-12-11-16-7-9-18(21)10-8-16/h2,4,6-10,17H,3,5,11-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyQPDMHBLMXHJYJC-QGZVFWFLSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 90654578) is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is QPDMHBLMXHJYJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-4-2-6-19(23-15)24-13-3-5-17(14-24)20(25)22-12-11-16-7-9-18(21)10-8-16/h2,4,6-10,17H,3,5,11-14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 90654578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).