1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea

C21H33N3O2 — CID 126424043

IUPAC1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(NCCC1CCN(C2CCCC2)CC1)NC[C@H](O)c1ccccc1
InChIInChI=1S/C21H33N3O2/c25-20(18-6-2-1-3-7-18)16-23-21(26)22-13-10-17-11-14-24(15-12-17)19-8-4-5-9-19/h1-3,6-7,17,19-20,25H,4-5,8-16H2,(H2,22,23,26)/t20-/m0/s1
InChIKeyLQGLICDUCXLHEE-FQEVSTJZSA-N
MW359.51 g/mol
LogP3.06
Rot. Bonds7

About 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea

1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea (PubChem CID 126424043) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea
PubChem CID126424043
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(NCCC1CCN(C2CCCC2)CC1)NC[C@H](O)c1ccccc1
InChIInChI=1S/C21H33N3O2/c25-20(18-6-2-1-3-7-18)16-23-21(26)22-13-10-17-11-14-24(15-12-17)19-8-4-5-9-19/h1-3,6-7,17,19-20,25H,4-5,8-16H2,(H2,22,23,26)/t20-/m0/s1
InChIKeyLQGLICDUCXLHEE-FQEVSTJZSA-N
XLogP3.06
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea with MolForge

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Related Compounds

2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111444022
2-(2-cyclohexylethylamino)-1-phenylethanol
CID 60752779
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
1-cyclohexyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97195508
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-hydroxy-2-phenylethyl)urea
CID 53498206
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 111750687

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea (CID 126424043) is 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea is O=C(NCCC1CCN(C2CCCC2)CC1)NC[C@H](O)c1ccccc1.
What is the InChIKey of 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is LQGLICDUCXLHEE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H33N3O2/c25-20(18-6-2-1-3-7-18)16-23-21(26)22-13-10-17-11-14-24(15-12-17)19-8-4-5-9-19/h1-3,6-7,17,19-20,25H,4-5,8-16H2,(H2,22,23,26)/t20-/m0/s1.
What are the key properties of 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea has a molecular weight of 359.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 126424043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).