(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide

C17H23N3O3 — CID 97113057

IUPAC(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)c1
InChIInChI=1S/C17H23N3O3/c1-12-4-2-6-14(8-12)23-15-10-20(11-15)16(21)13-5-3-7-19(9-13)17(18)22/h2,4,6,8,13,15H,3,5,7,9-11H2,1H3,(H2,18,22)/t13-/m0/s1
InChIKeyVLYQVTROJOYDCV-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.38
Rot. Bonds3

About (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide

(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 97113057) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID97113057
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)c1
InChIInChI=1S/C17H23N3O3/c1-12-4-2-6-14(8-12)23-15-10-20(11-15)16(21)13-5-3-7-19(9-13)17(18)22/h2,4,6,8,13,15H,3,5,7,9-11H2,1H3,(H2,18,22)/t13-/m0/s1
InChIKeyVLYQVTROJOYDCV-ZDUSSCGKSA-N
XLogP1.38
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97202927
2-[3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70729938
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 154823366
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
(3-methylphenoxy)cyclononane
CID 145391482
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
[(4R)-azepan-4-yl]-[3-(3-chlorophenoxy)azetidin-1-yl]methanone
CID 125167614

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide (CID 97113057) is (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide is Cc1cccc(OC2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)c1.
What is the InChIKey of (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is VLYQVTROJOYDCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-4-2-6-14(8-12)23-15-10-20(11-15)16(21)13-5-3-7-19(9-13)17(18)22/h2,4,6,8,13,15H,3,5,7,9-11H2,1H3,(H2,18,22)/t13-/m0/s1.
What are the key properties of (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide?
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 97113057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).