1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea

C18H23N3O2S — CID 111443812

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NCC(O)c1ccsc1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3O2S/c22-17(14-8-11-24-13-14)12-19-18(23)20-15-6-9-21(10-7-15)16-4-2-1-3-5-16/h1-5,8,11,13,15,17,22H,6-7,9-10,12H2,(H2,19,20,23)
InChIKeyMXEURTISVVLUBC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 111443812) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
PubChem CID111443812
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NCC(O)c1ccsc1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3O2S/c22-17(14-8-11-24-13-14)12-19-18(23)20-15-6-9-21(10-7-15)16-4-2-1-3-5-16/h1-5,8,11,13,15,17,22H,6-7,9-10,12H2,(H2,19,20,23)
InChIKeyMXEURTISVVLUBC-UHFFFAOYSA-N
XLogP2.75
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111505174
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
N-cyclopropyl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435052
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
CID 111755658
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111444022
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea (CID 111443812) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea is O=C(NCC(O)c1ccsc1)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is MXEURTISVVLUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-17(14-8-11-24-13-14)12-19-18(23)20-15-6-9-21(10-7-15)16-4-2-1-3-5-16/h1-5,8,11,13,15,17,22H,6-7,9-10,12H2,(H2,19,20,23).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 345.47 g/mol, XLogP of 2.75, 5 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-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 111443812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).