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

C18H21N3O2S — CID 86834875

IUPAC1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H21N3O2S/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/h1-7,12,15H,8-11,13H2,(H2,19,20,23)
InChIKeyJBKZGNKLBRKUOP-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.10
Rot. Bonds4

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

1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea (PubChem CID 86834875) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
PubChem CID86834875
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C18H21N3O2S/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/h1-7,12,15H,8-11,13H2,(H2,19,20,23)
InChIKeyJBKZGNKLBRKUOP-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
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
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
2,3,4-trifluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108556797

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
The IUPAC name of 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea (CID 86834875) is 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
The canonical SMILES for 1-phenyl-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-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
The InChIKey is JBKZGNKLBRKUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/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/h1-7,12,15H,8-11,13H2,(H2,19,20,23).
What are the key properties of 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea?
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea has a molecular weight of 343.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea is sourced from PubChem (CID 86834875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).