(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone

C18H19ClN2O — CID 143724817

IUPAC(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(Cl)n1
InChIInChI=1S/C18H19ClN2O/c1-13-7-8-16(17(19)20-13)18(22)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyPMPKLPFSWBPEDP-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.06
Rot. Bonds2

About (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone

(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 143724817) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID143724817
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(Cl)n1
InChIInChI=1S/C18H19ClN2O/c1-13-7-8-16(17(19)20-13)18(22)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyPMPKLPFSWBPEDP-UHFFFAOYSA-N
XLogP4.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-methyl-3-pyridinyl)-(4-cyclopentylpiperidin-1-yl)methanone
CID 154856557
(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 172646099
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660786
5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
CID 68831202
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
[6-methyl-2-(methylamino)-3-pyridinyl]-(3-phenylazetidin-1-yl)methanone
CID 138055181
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 154863854
butane;isoquinolin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724732

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone (CID 143724817) is (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is PMPKLPFSWBPEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13-7-8-16(17(19)20-13)18(22)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3.
What are the key properties of (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 314.82 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 143724817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).