(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone

C16H23NO2 — CID 45245966

IUPAC(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(C)C2)c1
InChIInChI=1S/C16H23NO2/c1-12(2)19-15-8-4-6-13(10-15)16(18)14-7-5-9-17(3)11-14/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3
InChIKeyYUVGINHQPOMIBY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds4

About (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone

(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 45245966) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID45245966
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(C)C2)c1
InChIInChI=1S/C16H23NO2/c1-12(2)19-15-8-4-6-13(10-15)16(18)14-7-5-9-17(3)11-14/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3
InChIKeyYUVGINHQPOMIBY-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45198049
[(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26409527
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
N-cyclopropyl-2-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]acetamide
CID 56869733
[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717856
[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717857
1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 42115571
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone (CID 45245966) is (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)C2CCCN(C)C2)c1.
What is the InChIKey of (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is YUVGINHQPOMIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)19-15-8-4-6-13(10-15)16(18)14-7-5-9-17(3)11-14/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3.
What are the key properties of (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone?
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 45245966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).