1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea

C18H27N3O2S — CID 110822094

IUPAC1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCC1)NC1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(8-7-16-6-3-13-24-16)21-11-9-15(10-12-21)20-18(23)19-14-4-1-2-5-14/h3,6,13-15H,1-2,4-5,7-12H2,(H2,19,20,23)
InChIKeyZHEJDVHZONOCJR-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.91
Rot. Bonds5

About 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea

1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea (PubChem CID 110822094) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
PubChem CID110822094
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCC1)NC1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(8-7-16-6-3-13-24-16)21-11-9-15(10-12-21)20-18(23)19-14-4-1-2-5-14/h3,6,13-15H,1-2,4-5,7-12H2,(H2,19,20,23)
InChIKeyZHEJDVHZONOCJR-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554273

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea (CID 110822094) is 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea is O=C(NC1CCCC1)NC1CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea?
The InChIKey is ZHEJDVHZONOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(8-7-16-6-3-13-24-16)21-11-9-15(10-12-21)20-18(23)19-14-4-1-2-5-14/h3,6,13-15H,1-2,4-5,7-12H2,(H2,19,20,23).
What are the key properties of 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea?
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea has a molecular weight of 349.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 110822094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).