(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone

C14H20N2O — CID 110855901

IUPAC(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCCC1CCCCN1C(=O)c1cnccc1C
InChIInChI=1S/C14H20N2O/c1-3-12-6-4-5-9-16(12)14(17)13-10-15-8-7-11(13)2/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyIVMJIWNOYFSKRD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.79
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone

(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 110855901) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID110855901
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCCC1CCCCN1C(=O)c1cnccc1C
InChIInChI=1S/C14H20N2O/c1-3-12-6-4-5-9-16(12)14(17)13-10-15-8-7-11(13)2/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyIVMJIWNOYFSKRD-UHFFFAOYSA-N
XLogP2.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylazepan-1-yl)methanone
CID 104692785
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 65311090
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone (CID 110855901) is (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone is CCC1CCCCN1C(=O)c1cnccc1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is IVMJIWNOYFSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12-6-4-5-9-16(12)14(17)13-10-15-8-7-11(13)2/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 110855901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).