N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide

C16H23N3O — CID 131916614

IUPACN-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)C3CCN3)CC2)c1
InChIInChI=1S/C16H23N3O/c1-12-3-2-4-14(11-12)19-9-6-13(7-10-19)18-16(20)15-5-8-17-15/h2-4,11,13,15,17H,5-10H2,1H3,(H,18,20)
InChIKeyVKVSUTUJZKDCMD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.44
Rot. Bonds3

About N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide

N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide (PubChem CID 131916614) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
PubChem CID131916614
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)C3CCN3)CC2)c1
InChIInChI=1S/C16H23N3O/c1-12-3-2-4-14(11-12)19-9-6-13(7-10-19)18-16(20)15-5-8-17-15/h2-4,11,13,15,17H,5-10H2,1H3,(H,18,20)
InChIKeyVKVSUTUJZKDCMD-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
formic acid;(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 171689581
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
5-acetyl-N-[1-(3-methylphenyl)piperidin-4-yl]thiophene-3-carboxamide
CID 118772808
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
2-hydroxy-2-(4-methoxyphenyl)-N-[1-(3-methylphenyl)piperidin-4-yl]acetamide
CID 118763996

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide?
The IUPAC name of N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide (CID 131916614) is N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide?
The canonical SMILES for N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide is Cc1cccc(N2CCC(NC(=O)C3CCN3)CC2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide?
The InChIKey is VKVSUTUJZKDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-3-2-4-14(11-12)19-9-6-13(7-10-19)18-16(20)15-5-8-17-15/h2-4,11,13,15,17H,5-10H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide?
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide is sourced from PubChem (CID 131916614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).