5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide

C17H23ClN2O2S — CID 55690906

IUPAC5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C17H23ClN2O2S/c18-15-7-6-14(23-15)16(21)19-13-8-10-20(11-9-13)17(22)12-4-2-1-3-5-12/h6-7,12-13H,1-5,8-11H2,(H,19,21)
InChIKeyMKMHXVMPJWMSTD-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide

5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 55690906) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID55690906
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC Name5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C17H23ClN2O2S/c18-15-7-6-14(23-15)16(21)19-13-8-10-20(11-9-13)17(22)12-4-2-1-3-5-12/h6-7,12-13H,1-5,8-11H2,(H,19,21)
InChIKeyMKMHXVMPJWMSTD-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 112724292
5-methyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119309715
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide (CID 55690906) is 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is MKMHXVMPJWMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c18-15-7-6-14(23-15)16(21)19-13-8-10-20(11-9-13)17(22)12-4-2-1-3-5-12/h6-7,12-13H,1-5,8-11H2,(H,19,21).
What are the key properties of 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 354.90 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55690906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).