(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone

C15H21NO2 — CID 110761899

IUPAC(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C15H21NO2/c1-3-12-11-13(7-8-14(12)18-2)15(17)16-9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZNTWYTQOBNHGMM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds3

About (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone

(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 110761899) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
PubChem CID110761899
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C15H21NO2/c1-3-12-11-13(7-8-14(12)18-2)15(17)16-9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyZNTWYTQOBNHGMM-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone (CID 110761899) is (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone is CCc1cc(C(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is ZNTWYTQOBNHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-11-13(7-8-14(12)18-2)15(17)16-9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone?
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110761899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).