(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone

C18H25NO — CID 110487740

IUPAC(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
SMILESCCC1CCCCN1C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25NO/c1-2-16-11-6-7-14-19(16)17(20)18(12-8-13-18)15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3
InChIKeyOZJGNEZIVABDPZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.90
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone

(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone (PubChem CID 110487740) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
PubChem CID110487740
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
SMILESCCC1CCCCN1C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25NO/c1-2-16-11-6-7-14-19(16)17(20)18(12-8-13-18)15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3
InChIKeyOZJGNEZIVABDPZ-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977
(2-ethylpiperidin-1-yl)-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211751
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone (CID 110487740) is (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone is CCC1CCCCN1C(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone?
The InChIKey is OZJGNEZIVABDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-16-11-6-7-14-19(16)17(20)18(12-8-13-18)15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone?
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone has a molecular weight of 271.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 110487740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).