2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide

C24H35N5O3S — CID 23991965

IUPAC2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1csc(C2CCN(C(=O)NCCC3=CCCCC3)CC2)n1
InChIInChI=1S/C24H35N5O3S/c30-21-19(8-4-5-12-25-21)27-22(31)20-16-33-23(28-20)18-10-14-29(15-11-18)24(32)26-13-9-17-6-2-1-3-7-17/h6,16,18-19H,1-5,7-15H2,(H,25,30)(H,26,32)(H,27,31)
InChIKeyNDRQLTWHVFECQU-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide

2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 23991965) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID23991965
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1csc(C2CCN(C(=O)NCCC3=CCCCC3)CC2)n1
InChIInChI=1S/C24H35N5O3S/c30-21-19(8-4-5-12-25-21)27-22(31)20-16-33-23(28-20)18-10-14-29(15-11-18)24(32)26-13-9-17-6-2-1-3-7-17/h6,16,18-19H,1-5,7-15H2,(H,25,30)(H,26,32)(H,27,31)
InChIKeyNDRQLTWHVFECQU-UHFFFAOYSA-N
XLogP3.32
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 3875929
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 5010500
methyl 2-[2-[[2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoylamino]acetate
CID 3826284
N-[(3-chloro-4-fluorophenyl)methyl]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5018875
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-[4-(thiadiazol-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 3705162
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 3283647
N-[3-(3-acetamidophenoxy)propyl]-2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3717610
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 5018874
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3807473
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 3283645
N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97152900
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide (CID 23991965) is 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCCCNC1=O)c1csc(C2CCN(C(=O)NCCC3=CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NDRQLTWHVFECQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c30-21-19(8-4-5-12-25-21)27-22(31)20-16-33-23(28-20)18-10-14-29(15-11-18)24(32)26-13-9-17-6-2-1-3-7-17/h6,16,18-19H,1-5,7-15H2,(H,25,30)(H,26,32)(H,27,31).
What are the key properties of 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide?
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23991965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).