cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone

C21H28N2O3 — CID 97206838

IUPACcyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)C2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-26-18-7-3-6-17(14-18)19-10-13-23(19)21(25)16-8-11-22(12-9-16)20(24)15-4-2-5-15/h3,6-7,14-16,19H,2,4-5,8-13H2,1H3/t19-/m1/s1
InChIKeyNDXCALDZCYJQPU-LJQANCHMSA-N
MW356.47 g/mol
LogP3.01
Rot. Bonds4

About cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97206838) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97206838
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Namecyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)C2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-26-18-7-3-6-17(14-18)19-10-13-23(19)21(25)16-8-11-22(12-9-16)20(24)15-4-2-5-15/h3,6-7,14-16,19H,2,4-5,8-13H2,1H3/t19-/m1/s1
InChIKeyNDXCALDZCYJQPU-LJQANCHMSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]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

cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
[4-[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-cyclobutylmethanone;dihydrochloride
CID 154898067
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95715803
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone (CID 97206838) is cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone is COc1cccc([C@H]2CCN2C(=O)C2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is NDXCALDZCYJQPU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-18-7-3-6-17(14-18)19-10-13-23(19)21(25)16-8-11-22(12-9-16)20(24)15-4-2-5-15/h3,6-7,14-16,19H,2,4-5,8-13H2,1H3/t19-/m1/s1.
What are the key properties of cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97206838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).