1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea

C14H27N3O2 — CID 111438964

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-11(18)6-8-15-14(19)16-12-7-9-17(10-12)13-4-2-3-5-13/h11-13,18H,2-10H2,1H3,(H2,15,16,19)
InChIKeySQGZZFIYRWPDFY-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.07
Rot. Bonds5

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea

1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea (PubChem CID 111438964) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
PubChem CID111438964
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-11(18)6-8-15-14(19)16-12-7-9-17(10-12)13-4-2-3-5-13/h11-13,18H,2-10H2,1H3,(H2,15,16,19)
InChIKeySQGZZFIYRWPDFY-UHFFFAOYSA-N
XLogP1.07
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309401
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111438961
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
CID 99854860
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014997

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea (CID 111438964) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea?
The InChIKey is SQGZZFIYRWPDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(18)6-8-15-14(19)16-12-7-9-17(10-12)13-4-2-3-5-13/h11-13,18H,2-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea?
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea has a molecular weight of 269.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111438964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).