N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C18H27N3O2S — CID 31991213

IUPACN-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O2S/c1-14-4-6-15(7-5-14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,19,22)
InChIKeyOSINYINZWDGHQB-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.20
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 31991213) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID31991213
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O2S/c1-14-4-6-15(7-5-14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,19,22)
InChIKeyOSINYINZWDGHQB-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39145647
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31992247
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 31991213) is N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is CC1CCC(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is OSINYINZWDGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-4-6-15(7-5-14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,19,22).
What are the key properties of N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31991213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).