4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide

C16H23ClN2O2 — CID 23071803

IUPAC4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESCC(C)(C)C1(O)CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,3)16(21)7-9-19(10-8-16)14(20)18-13-6-4-5-12(17)11-13/h4-6,11,21H,7-10H2,1-3H3,(H,18,20)
InChIKeyKOLKQSBJMQLSFL-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.74
Rot. Bonds1

About 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide

4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 23071803) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID23071803
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESCC(C)(C)C1(O)CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,3)16(21)7-9-19(10-8-16)14(20)18-13-6-4-5-12(17)11-13/h4-6,11,21H,7-10H2,1-3H3,(H,18,20)
InChIKeyKOLKQSBJMQLSFL-UHFFFAOYSA-N
XLogP3.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-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

N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
CID 169490415
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
CID 23072023
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 23071803) is 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide is CC(C)(C)C1(O)CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is KOLKQSBJMQLSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-15(2,3)16(21)7-9-19(10-8-16)14(20)18-13-6-4-5-12(17)11-13/h4-6,11,21H,7-10H2,1-3H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23071803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).