N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide

C18H22ClN3O2S — CID 13345419

IUPACN-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)cs1
InChIInChI=1S/C18H22ClN3O2S/c1-13(23)20-17-21-16(12-25-17)6-9-22-10-7-18(24,8-11-22)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11H2,1H3,(H,20,21,23)
InChIKeyCREJHTMGINAKNQ-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 13345419) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID13345419
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC NameN-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)cs1
InChIInChI=1S/C18H22ClN3O2S/c1-13(23)20-17-21-16(12-25-17)6-9-22-10-7-18(24,8-11-22)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11H2,1H3,(H,20,21,23)
InChIKeyCREJHTMGINAKNQ-UHFFFAOYSA-N
XLogP3.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide 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-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 78776007
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 112761977
4-(4-chlorophenyl)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-4-ol
CID 118785818
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 125143148
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362
N-[4-[2-[4-[(3-aminopyrrolidin-1-yl)methyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 87743575
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 13345419) is N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)cs1.
What is the InChIKey of N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CREJHTMGINAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-13(23)20-17-21-16(12-25-17)6-9-22-10-7-18(24,8-11-22)14-2-4-15(19)5-3-14/h2-5,12,24H,6-11H2,1H3,(H,20,21,23).
What are the key properties of N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.91 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 13345419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).