1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one

C19H26N2O3 — CID 97202927

IUPAC1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3cccc(C)c3)C2)C1
InChIInChI=1S/C19H26N2O3/c1-3-18(22)20-9-5-7-15(11-20)19(23)21-12-17(13-21)24-16-8-4-6-14(2)10-16/h4,6,8,10,15,17H,3,5,7,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyDFARODCUTMNFJO-OAHLLOKOSA-N
MW330.43 g/mol
LogP2.23
Rot. Bonds4

About 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 97202927) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID97202927
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3cccc(C)c3)C2)C1
InChIInChI=1S/C19H26N2O3/c1-3-18(22)20-9-5-7-15(11-20)19(23)21-12-17(13-21)24-16-8-4-6-14(2)10-16/h4,6,8,10,15,17H,3,5,7,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyDFARODCUTMNFJO-OAHLLOKOSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one 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

(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 72840326
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
2-[3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70729938
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670
[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 154823366
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
(3R)-1-[5-(3-methylphenoxy)pentanoyl]piperidine-3-carboxylic acid
CID 124576583
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256758

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 97202927) is 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3cccc(C)c3)C2)C1.
What is the InChIKey of 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is DFARODCUTMNFJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-18(22)20-9-5-7-15(11-20)19(23)21-12-17(13-21)24-16-8-4-6-14(2)10-16/h4,6,8,10,15,17H,3,5,7,9,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97202927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).