1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea

C15H21N3OS — CID 136562095

IUPAC1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)CC1)NC1CSC1
InChIInChI=1S/C15H21N3OS/c19-15(17-13-10-20-11-13)16-12-6-8-18(9-7-12)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,16,17,19)
InChIKeyKHGILVNDXLAYPG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.07
Rot. Bonds3

About 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea

1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea (PubChem CID 136562095) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea.

Molecular Properties

Compound Name1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
PubChem CID136562095
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)CC1)NC1CSC1
InChIInChI=1S/C15H21N3OS/c19-15(17-13-10-20-11-13)16-12-6-8-18(9-7-12)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,16,17,19)
InChIKeyKHGILVNDXLAYPG-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 136568794
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
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N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea?
The IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea (CID 136562095) is 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea.
What is the SMILES notation for 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea?
The canonical SMILES for 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea is O=C(NC1CCN(c2ccccc2)CC1)NC1CSC1.
What is the InChIKey of 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea?
The InChIKey is KHGILVNDXLAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c19-15(17-13-10-20-11-13)16-12-6-8-18(9-7-12)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,16,17,19).
What are the key properties of 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea?
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea has a molecular weight of 291.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea is sourced from PubChem (CID 136562095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).