1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C21H25N3O3S — CID 55961185

IUPAC1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1
InChIInChI=1S/C21H25N3O3S/c25-19(23-21-22-11-13-28-21)16-4-3-12-24(14-16)20(26)15-7-9-18(10-8-15)27-17-5-1-2-6-17/h7-11,13,16-17H,1-6,12,14H2,(H,22,23,25)
InChIKeyWVOPJJVCCVRCMW-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.96
Rot. Bonds5

About 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55961185) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55961185
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1
InChIInChI=1S/C21H25N3O3S/c25-19(23-21-22-11-13-28-21)16-4-3-12-24(14-16)20(26)15-7-9-18(10-8-15)27-17-5-1-2-6-17/h7-11,13,16-17H,1-6,12,14H2,(H,22,23,25)
InChIKeyWVOPJJVCCVRCMW-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813442
1-(3-methoxy-4-propan-2-yloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813505
4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487491
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810706
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55961185) is 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WVOPJJVCCVRCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-19(23-21-22-11-13-28-21)16-4-3-12-24(14-16)20(26)15-7-9-18(10-8-15)27-17-5-1-2-6-17/h7-11,13,16-17H,1-6,12,14H2,(H,22,23,25).
What are the key properties of 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55961185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).