[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone

C17H23NO — CID 24725341

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone
SMILESO=C(c1ccccc1CN1CCC1)C1CCCCC1
InChIInChI=1S/C17H23NO/c19-17(14-7-2-1-3-8-14)16-10-5-4-9-15(16)13-18-11-6-12-18/h4-5,9-10,14H,1-3,6-8,11-13H2
InChIKeyIZNDPSHPXNMOCV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.66
Rot. Bonds4

About [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone

[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone (PubChem CID 24725341) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone
PubChem CID24725341
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone
SMILESO=C(c1ccccc1CN1CCC1)C1CCCCC1
InChIInChI=1S/C17H23NO/c19-17(14-7-2-1-3-8-14)16-10-5-4-9-15(16)13-18-11-6-12-18/h4-5,9-10,14H,1-3,6-8,11-13H2
InChIKeyIZNDPSHPXNMOCV-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725453
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
bis[2-cyclohexyl-3-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011633
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171674975
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 107223479
2-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 74238345

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone (CID 24725341) is [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone is O=C(c1ccccc1CN1CCC1)C1CCCCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone?
The InChIKey is IZNDPSHPXNMOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(14-7-2-1-3-8-14)16-10-5-4-9-15(16)13-18-11-6-12-18/h4-5,9-10,14H,1-3,6-8,11-13H2.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone?
[2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone has a molecular weight of 257.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-ylmethyl)phenyl]-cyclohexylmethanone is sourced from PubChem (CID 24725341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).