1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

C17H29N3O2S — CID 111508204

IUPAC1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCCN1CCC(CCNC(=O)NCC(C)(O)c2ccsc2)CC1
InChIInChI=1S/C17H29N3O2S/c1-3-20-9-5-14(6-10-20)4-8-18-16(21)19-13-17(2,22)15-7-11-23-12-15/h7,11-12,14,22H,3-6,8-10,13H2,1-2H3,(H2,18,19,21)
InChIKeyVJDOTZZRTILEGO-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 111508204) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID111508204
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCCN1CCC(CCNC(=O)NCC(C)(O)c2ccsc2)CC1
InChIInChI=1S/C17H29N3O2S/c1-3-20-9-5-14(6-10-20)4-8-18-16(21)19-13-17(2,22)15-7-11-23-12-15/h7,11-12,14,22H,3-6,8-10,13H2,1-2H3,(H2,18,19,21)
InChIKeyVJDOTZZRTILEGO-UHFFFAOYSA-N
XLogP2.38
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111455536
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111483022
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450574
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 98787633
(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
CID 96567072
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111508190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 111508204) is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is CCN1CCC(CCNC(=O)NCC(C)(O)c2ccsc2)CC1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is VJDOTZZRTILEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-3-20-9-5-14(6-10-20)4-8-18-16(21)19-13-17(2,22)15-7-11-23-12-15/h7,11-12,14,22H,3-6,8-10,13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 339.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111508204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).