1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea

C18H35N3O2 — CID 111751536

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-2-5-15(10-13-22)14-19-18(23)20-16-8-11-21(12-9-16)17-6-3-4-7-17/h15-17,22H,2-14H2,1H3,(H2,19,20,23)
InChIKeyYAUDVDJCSTWMNE-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.49
Rot. Bonds8

About 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111751536) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111751536
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-2-5-15(10-13-22)14-19-18(23)20-16-8-11-21(12-9-16)17-6-3-4-7-17/h15-17,22H,2-14H2,1H3,(H2,19,20,23)
InChIKeyYAUDVDJCSTWMNE-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767
1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 97186218
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-(1-cyclopropylpiperidin-4-yl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450416
2-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103722752
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111992501
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111751536) is 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is YAUDVDJCSTWMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-2-5-15(10-13-22)14-19-18(23)20-16-8-11-21(12-9-16)17-6-3-4-7-17/h15-17,22H,2-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111751536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).