(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone

C14H19NO — CID 176864535

IUPAC(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C14H19NO/c1-10(2)12-4-6-13(7-5-12)14(16)15-8-11(3)9-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUHOROJFYLLECKY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds2

About (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone

(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 176864535) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID176864535
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C14H19NO/c1-10(2)12-4-6-13(7-5-12)14(16)15-8-11(3)9-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUHOROJFYLLECKY-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 176864496
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 166782014
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 24707311
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 176864535) is (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone is CC1CN(C(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is UHOROJFYLLECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)12-4-6-13(7-5-12)14(16)15-8-11(3)9-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone?
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 176864535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).