1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea

C17H25N3O2 — CID 111925888

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1N1CCCC1)NC1(CO)CCCC1
InChIInChI=1S/C17H25N3O2/c21-13-17(9-3-4-10-17)19-16(22)18-14-7-1-2-8-15(14)20-11-5-6-12-20/h1-2,7-8,21H,3-6,9-13H2,(H2,18,19,22)
InChIKeyVUEMZZYYITUJBJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.71
Rot. Bonds4

About 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea

1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 111925888) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID111925888
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1N1CCCC1)NC1(CO)CCCC1
InChIInChI=1S/C17H25N3O2/c21-13-17(9-3-4-10-17)19-16(22)18-14-7-1-2-8-15(14)20-11-5-6-12-20/h1-2,7-8,21H,3-6,9-13H2,(H2,18,19,22)
InChIKeyVUEMZZYYITUJBJ-UHFFFAOYSA-N
XLogP2.71
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)phenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925944
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111572950
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926057
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 111754331
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81179461

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea (CID 111925888) is 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea is O=C(Nc1ccccc1N1CCCC1)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is VUEMZZYYITUJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-13-17(9-3-4-10-17)19-16(22)18-14-7-1-2-8-15(14)20-11-5-6-12-20/h1-2,7-8,21H,3-6,9-13H2,(H2,18,19,22).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 111925888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).