3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide

C23H29N3O — CID 23140585

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H29N3O/c1-18-7-5-6-10-22(18)24-23(27)26-16-21(17-26)25-13-11-20(12-14-25)15-19-8-3-2-4-9-19/h2-10,20-21H,11-17H2,1H3,(H,24,27)
InChIKeyNEXHOZVYABTDFH-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.17
Rot. Bonds4

About 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide

3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide (PubChem CID 23140585) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
PubChem CID23140585
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC(N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H29N3O/c1-18-7-5-6-10-22(18)24-23(27)26-16-21(17-26)25-13-11-20(12-14-25)15-19-8-3-2-4-9-19/h2-10,20-21H,11-17H2,1H3,(H,24,27)
InChIKeyNEXHOZVYABTDFH-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
CID 23140490
1-(4-benzylpiperidine-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 44902552
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide (CID 23140585) is 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide is Cc1ccccc1NC(=O)N1CC(N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide?
The InChIKey is NEXHOZVYABTDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-7-5-6-10-22(18)24-23(27)26-16-21(17-26)25-13-11-20(12-14-25)15-19-8-3-2-4-9-19/h2-10,20-21H,11-17H2,1H3,(H,24,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide?
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).