1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea

C25H29N3OS — CID 90522912

IUPAC1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(c2cccs2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3OS/c29-25(26-15-18-28-16-13-20(14-17-28)23-12-7-19-30-23)27-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,24H,13-18H2,(H2,26,27,29)
InChIKeyLKVHEQSJNUXHOH-UHFFFAOYSA-N
MW419.59 g/mol
LogP5.02
Rot. Bonds7

About 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea

1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (PubChem CID 90522912) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
PubChem CID90522912
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC Name1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCC(c2cccs2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3OS/c29-25(26-15-18-28-16-13-20(14-17-28)23-12-7-19-30-23)27-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,24H,13-18H2,(H2,26,27,29)
InChIKeyLKVHEQSJNUXHOH-UHFFFAOYSA-N
XLogP5.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522812
1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea
CID 43066076
1-(3,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522900
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
1-(2,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522902
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (CID 90522912) is 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is O=C(NCCN1CCC(c2cccs2)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The InChIKey is LKVHEQSJNUXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c29-25(26-15-18-28-16-13-20(14-17-28)23-12-7-19-30-23)27-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,24H,13-18H2,(H2,26,27,29).
What are the key properties of 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea has a molecular weight of 419.59 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 90522912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).