1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C15H25N3O2S — CID 111444022

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NCC(O)c2ccsc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-18-7-3-12(4-8-18)2-6-16-15(20)17-10-14(19)13-5-9-21-11-13/h5,9,11-12,14,19H,2-4,6-8,10H2,1H3,(H2,16,17,20)
InChIKeySOQHVXCUBRDKIP-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.81
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 111444022) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID111444022
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)NCC(O)c2ccsc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-18-7-3-12(4-8-18)2-6-16-15(20)17-10-14(19)13-5-9-21-11-13/h5,9,11-12,14,19H,2-4,6-8,10H2,1H3,(H2,16,17,20)
InChIKeySOQHVXCUBRDKIP-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 111440919
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111443181
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111440921
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441091
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 126424043
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 111444022) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CN1CCC(CCNC(=O)NCC(O)c2ccsc2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is SOQHVXCUBRDKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18-7-3-12(4-8-18)2-6-16-15(20)17-10-14(19)13-5-9-21-11-13/h5,9,11-12,14,19H,2-4,6-8,10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 311.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 111444022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).