3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide

C17H25N3O2 — CID 125446145

IUPAC3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)N[C@H]3CCCN(C)C3)C2)c1
InChIInChI=1S/C17H25N3O2/c1-13-5-3-7-15(9-13)22-16-11-20(12-16)17(21)18-14-6-4-8-19(2)10-14/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyLLAJDWLFNCPYAF-AWEZNQCLSA-N
MW303.41 g/mol
LogP1.86
Rot. Bonds3

About 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide

3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide (PubChem CID 125446145) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
PubChem CID125446145
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)N[C@H]3CCCN(C)C3)C2)c1
InChIInChI=1S/C17H25N3O2/c1-13-5-3-7-15(9-13)22-16-11-20(12-16)17(21)18-14-6-4-8-19(2)10-14/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyLLAJDWLFNCPYAF-AWEZNQCLSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122556550
3-(3-methylphenoxy)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]azetidine-1-carboxamide
CID 121495362
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
N-[2-(dimethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 159475474
1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97202927
N-[2-(diethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 158715651
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 72891993

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide (CID 125446145) is 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide is Cc1cccc(OC2CN(C(=O)N[C@H]3CCCN(C)C3)C2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide?
The InChIKey is LLAJDWLFNCPYAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-5-3-7-15(9-13)22-16-11-20(12-16)17(21)18-14-6-4-8-19(2)10-14/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide?
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 125446145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).