1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea

C18H27N3O2S — CID 110820715

IUPAC1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(13-16-7-4-12-24-16)21-10-8-15(9-11-21)20-18(23)19-14-5-2-1-3-6-14/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,19,20,23)
InChIKeyTZGFGULJOAZCRI-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.91
Rot. Bonds4

About 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea (PubChem CID 110820715) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
PubChem CID110820715
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(13-16-7-4-12-24-16)21-10-8-15(9-11-21)20-18(23)19-14-5-2-1-3-6-14/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,19,20,23)
InChIKeyTZGFGULJOAZCRI-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea (CID 110820715) is 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
The InChIKey is TZGFGULJOAZCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(13-16-7-4-12-24-16)21-10-8-15(9-11-21)20-18(23)19-14-5-2-1-3-6-14/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea has a molecular weight of 349.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea is sourced from PubChem (CID 110820715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).