N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide

C16H23N3O2 — CID 131934085

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)C3CCN3)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-19-10-7-14(8-11-19)21-13-4-2-12(3-5-13)18-16(20)15-6-9-17-15/h2-5,14-15,17H,6-11H2,1H3,(H,18,20)
InChIKeyAJBVKJGPLGFXOK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.46
Rot. Bonds4

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide (PubChem CID 131934085) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
PubChem CID131934085
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)C3CCN3)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-19-10-7-14(8-11-19)21-13-4-2-12(3-5-13)18-16(20)15-6-9-17-15/h2-5,14-15,17H,6-11H2,1H3,(H,18,20)
InChIKeyAJBVKJGPLGFXOK-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154912274
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119187
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131903203
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide (CID 131934085) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide is CN1CCC(Oc2ccc(NC(=O)C3CCN3)cc2)CC1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide?
The InChIKey is AJBVKJGPLGFXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-10-7-14(8-11-19)21-13-4-2-12(3-5-13)18-16(20)15-6-9-17-15/h2-5,14-15,17H,6-11H2,1H3,(H,18,20).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide is sourced from PubChem (CID 131934085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).