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

C20H27N3OS — CID 71787153

IUPAC1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCc1ccccc1)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H27N3OS/c24-20(21-11-8-17-5-2-1-3-6-17)22-12-15-23-13-9-18(10-14-23)19-7-4-16-25-19/h1-7,16,18H,8-15H2,(H2,21,22,24)
InChIKeyNMSCEYXPZVKBFZ-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.47
Rot. Bonds7

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

1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (PubChem CID 71787153) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
PubChem CID71787153
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESO=C(NCCc1ccccc1)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H27N3OS/c24-20(21-11-8-17-5-2-1-3-6-17)22-12-15-23-13-9-18(10-14-23)19-7-4-16-25-19/h1-7,16,18H,8-15H2,(H2,21,22,24)
InChIKeyNMSCEYXPZVKBFZ-UHFFFAOYSA-N
XLogP3.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674
1-Benzyl-3-(thiophen-2-ylmethyl)urea
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Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750
1-Cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
CID 9550850
3-(1-Benzyl-piperidin-4-yl)-5,5-di-(2-thienyl)-imidazolidin-2-one
CID 16125374
3-(1-(2-Thienylmethyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 4522322
2-({Benzyl[(thiophen-2-YL)methyl]carbamothioyl}amino)-N-butylacetamide
CID 3510119
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (CID 71787153) is 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is O=C(NCCc1ccccc1)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The InChIKey is NMSCEYXPZVKBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-20(21-11-8-17-5-2-1-3-6-17)22-12-15-23-13-9-18(10-14-23)19-7-4-16-25-19/h1-7,16,18H,8-15H2,(H2,21,22,24).
What are the key properties of 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea has a molecular weight of 357.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 71787153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).