4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

C17H25N3O2 — CID 162628442

IUPAC4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(N3CC(O)C3)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-2-4-14(5-3-13)10-18-17(22)19-8-6-15(7-9-19)20-11-16(21)12-20/h2-5,15-16,21H,6-12H2,1H3,(H,18,22)
InChIKeyKYTWNSHKVDZHIZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.35
Rot. Bonds3

About 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 162628442) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID162628442
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(N3CC(O)C3)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-2-4-14(5-3-13)10-18-17(22)19-8-6-15(7-9-19)20-11-16(21)12-20/h2-5,15-16,21H,6-12H2,1H3,(H,18,22)
InChIKeyKYTWNSHKVDZHIZ-UHFFFAOYSA-N
XLogP1.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid
CID 154914956
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
CID 134161071
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
N-[(2,3-dimethylphenyl)methyl]-4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carboxamide
CID 126424306
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
CID 56909428

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (CID 162628442) is 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(N3CC(O)C3)CC2)cc1.
What is the InChIKey of 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is KYTWNSHKVDZHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-2-4-14(5-3-13)10-18-17(22)19-8-6-15(7-9-19)20-11-16(21)12-20/h2-5,15-16,21H,6-12H2,1H3,(H,18,22).
What are the key properties of 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 162628442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).