(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone

C18H20N2O — CID 116561879

IUPAC(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
SMILESCc1cncc(C(=O)C2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C18H20N2O/c1-14-11-15(13-20-12-14)17(21)18(7-9-19-10-8-18)16-5-3-2-4-6-16/h2-6,11-13,19H,7-10H2,1H3
InChIKeyRJUWBTLJYMWCNJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.89
Rot. Bonds3

About (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone

(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone (PubChem CID 116561879) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
PubChem CID116561879
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
SMILESCc1cncc(C(=O)C2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C18H20N2O/c1-14-11-15(13-20-12-14)17(21)18(7-9-19-10-8-18)16-5-3-2-4-6-16/h2-6,11-13,19H,7-10H2,1H3
InChIKeyRJUWBTLJYMWCNJ-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metyrapone
CID 4174
Daporinad
CID 6914657
Phenyl-3-pyridinylmethanone
CID 21540
Ethanedione, di-3-pyridinyl-
CID 260384
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Phenatine
CID 120640
Di-3-pyridinylmethanone
CID 298471
Lophocladine A
CID 11708368
4-tert-butyl-N-(pyridin-3-ylmethyl)benzamide
CID 669507
phenyl(4-phenyl-1H-pyrrol-3-yl)methanone
CID 845957
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
The IUPAC name of (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone (CID 116561879) is (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone is Cc1cncc(C(=O)C2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
The InChIKey is RJUWBTLJYMWCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-11-15(13-20-12-14)17(21)18(7-9-19-10-8-18)16-5-3-2-4-6-16/h2-6,11-13,19H,7-10H2,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 116561879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).