1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea

C18H27N3O — CID 23609402

IUPAC1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC2CCN(C3CCCC3)C2)c1
InChIInChI=1S/C18H27N3O/c1-14-5-4-6-16(11-14)20-18(22)19-12-15-9-10-21(13-15)17-7-2-3-8-17/h4-6,11,15,17H,2-3,7-10,12-13H2,1H3,(H2,19,20,22)
InChIKeyZVOFIOAVTWJIFC-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.38
Rot. Bonds4

About 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea

1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea (PubChem CID 23609402) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
PubChem CID23609402
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC2CCN(C3CCCC3)C2)c1
InChIInChI=1S/C18H27N3O/c1-14-5-4-6-16(11-14)20-18(22)19-12-15-9-10-21(13-15)17-7-2-3-8-17/h4-6,11,15,17H,2-3,7-10,12-13H2,1H3,(H2,19,20,22)
InChIKeyZVOFIOAVTWJIFC-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 92717372
1-(1,3-benzodioxol-5-yl)-3-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]urea
CID 27241041
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 125145752
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16886755
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 23609187

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea (CID 23609402) is 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC2CCN(C3CCCC3)C2)c1.
What is the InChIKey of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is ZVOFIOAVTWJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-5-4-6-16(11-14)20-18(22)19-12-15-9-10-21(13-15)17-7-2-3-8-17/h4-6,11,15,17H,2-3,7-10,12-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea?
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 301.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 23609402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).