N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide

C17H26N2OS — CID 120601282

IUPACN-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(c3cccs3)CCCCC2)CCN1
InChIInChI=1S/C17H26N2OS/c1-13-12-14(7-10-18-13)19-16(20)17(8-3-2-4-9-17)15-6-5-11-21-15/h5-6,11,13-14,18H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyFAXGHTYAVZRPDO-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.21
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide

N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 120601282) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID120601282
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(c3cccs3)CCCCC2)CCN1
InChIInChI=1S/C17H26N2OS/c1-13-12-14(7-10-18-13)19-16(20)17(8-3-2-4-9-17)15-6-5-11-21-15/h5-6,11,13-14,18H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyFAXGHTYAVZRPDO-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97040077
N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97040076
N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 129378562
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
2-methyl-N-(2-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 122081327
1-ethyl-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120601589
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 120601282) is N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide is CC1CC(NC(=O)C2(c3cccs3)CCCCC2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is FAXGHTYAVZRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13-12-14(7-10-18-13)19-16(20)17(8-3-2-4-9-17)15-6-5-11-21-15/h5-6,11,13-14,18H,2-4,7-10,12H2,1H3,(H,19,20).
What are the key properties of N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 120601282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).