1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide

C18H21ClN4O2S — CID 163368432

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C18H21ClN4O2S/c1-12(24)21-18-20-10-16(26-18)11-23-8-6-13(7-9-23)17(25)22-15-4-2-14(19)3-5-15/h2-5,10,13H,6-9,11H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyVHJAACZDWDHBFF-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.61
Rot. Bonds5

About 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide (PubChem CID 163368432) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide
PubChem CID163368432
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C18H21ClN4O2S/c1-12(24)21-18-20-10-16(26-18)11-23-8-6-13(7-9-23)17(25)22-15-4-2-14(19)3-5-15/h2-5,10,13H,6-9,11H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyVHJAACZDWDHBFF-UHFFFAOYSA-N
XLogP3.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 603425
1-(4-Chlorophenyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 9840457
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420119
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130
4-(4-chloro-3-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420137
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
CID 163368392
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368403
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 163368404
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide
CID 163368412

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide (CID 163368432) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide is CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is VHJAACZDWDHBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-12(24)21-18-20-10-16(26-18)11-23-8-6-13(7-9-23)17(25)22-15-4-2-14(19)3-5-15/h2-5,10,13H,6-9,11H2,1H3,(H,22,25)(H,20,21,24).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 163368432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).