3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide

C23H29N3OS — CID 23140490

IUPAC3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CC(N3CCC(Cc4ccccc4)CC3)C2)c1
InChIInChI=1S/C23H29N3OS/c1-28-22-9-5-8-20(15-22)24-23(27)26-16-21(17-26)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,19,21H,10-14,16-17H2,1H3,(H,24,27)
InChIKeyJARHEKYEAHTYSZ-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.58
Rot. Bonds5

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

3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide (PubChem CID 23140490) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
PubChem CID23140490
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CC(N3CCC(Cc4ccccc4)CC3)C2)c1
InChIInChI=1S/C23H29N3OS/c1-28-22-9-5-8-20(15-22)24-23(27)26-16-21(17-26)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,19,21H,10-14,16-17H2,1H3,(H,24,27)
InChIKeyJARHEKYEAHTYSZ-UHFFFAOYSA-N
XLogP4.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 138382404
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(3S)-3-[methyl(2-phenylethyl)amino]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 42456207
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide (CID 23140490) is 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide is CSc1cccc(NC(=O)N2CC(N3CCC(Cc4ccccc4)CC3)C2)c1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide?
The InChIKey is JARHEKYEAHTYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-28-22-9-5-8-20(15-22)24-23(27)26-16-21(17-26)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,19,21H,10-14,16-17H2,1H3,(H,24,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide?
3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).