(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone

C18H20N2O — CID 110683661

IUPAC(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3ccccc3)nc2)C1
InChIInChI=1S/C18H20N2O/c1-14-6-5-11-20(13-14)18(21)16-9-10-17(19-12-16)15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3
InChIKeyCEGGUKZJQRAAMF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.62
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone

(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone (PubChem CID 110683661) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
PubChem CID110683661
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3ccccc3)nc2)C1
InChIInChI=1S/C18H20N2O/c1-14-6-5-11-20(13-14)18(21)16-9-10-17(19-12-16)15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3
InChIKeyCEGGUKZJQRAAMF-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109160628
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109161744
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone (CID 110683661) is (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone is CC1CCCN(C(=O)c2ccc(-c3ccccc3)nc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone?
The InChIKey is CEGGUKZJQRAAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-6-5-11-20(13-14)18(21)16-9-10-17(19-12-16)15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone?
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 110683661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).