1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone

C19H26N2O3 — CID 97189789

IUPAC1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3C)C2)C1
InChIInChI=1S/C19H26N2O3/c1-14-6-3-4-7-17(14)13-24-18-11-21(12-18)19(23)16-8-5-9-20(10-16)15(2)22/h3-4,6-7,16,18H,5,8-13H2,1-2H3/t16-/m0/s1
InChIKeyCKKDZMNZRZMZGB-INIZCTEOSA-N
MW330.43 g/mol
LogP1.98
Rot. Bonds4

About 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone

1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 97189789) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID97189789
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3C)C2)C1
InChIInChI=1S/C19H26N2O3/c1-14-6-3-4-7-17(14)13-24-18-11-21(12-18)19(23)16-8-5-9-20(10-16)15(2)22/h3-4,6-7,16,18H,5,8-13H2,1-2H3/t16-/m0/s1
InChIKeyCKKDZMNZRZMZGB-INIZCTEOSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone 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

1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 72840326
cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97041610
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921
[(2R)-2-methyloxan-2-yl]-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 125170177
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
(5R)-1-ethyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97143515
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
(3R)-1-acetyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 97195010

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone (CID 97189789) is 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3C)C2)C1.
What is the InChIKey of 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CKKDZMNZRZMZGB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-6-3-4-7-17(14)13-24-18-11-21(12-18)19(23)16-8-5-9-20(10-16)15(2)22/h3-4,6-7,16,18H,5,8-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).