N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

C18H27N3O — CID 119074138

IUPACN-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CC(N2CCCCC2C)C1
InChIInChI=1S/C18H27N3O/c1-14-7-3-4-9-16(14)11-19-18(22)20-12-17(13-20)21-10-6-5-8-15(21)2/h3-4,7,9,15,17H,5-6,8,10-13H2,1-2H3,(H,19,22)
InChIKeyDJAWZFHBCOIMRU-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.76
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide (PubChem CID 119074138) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
PubChem CID119074138
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CC(N2CCCCC2C)C1
InChIInChI=1S/C18H27N3O/c1-14-7-3-4-9-16(14)11-19-18(22)20-12-17(13-20)21-10-6-5-8-15(21)2/h3-4,7,9,15,17H,5-6,8,10-13H2,1-2H3,(H,19,22)
InChIKeyDJAWZFHBCOIMRU-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 119074455
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968
N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 126423909
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445475
3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
CID 125166113
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445358

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide (CID 119074138) is N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide is Cc1ccccc1CNC(=O)N1CC(N2CCCCC2C)C1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide?
The InChIKey is DJAWZFHBCOIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-7-3-4-9-16(14)11-19-18(22)20-12-17(13-20)21-10-6-5-8-15(21)2/h3-4,7,9,15,17H,5-6,8,10-13H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide?
N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 119074138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).