1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea

C12H23N3O — CID 110749371

IUPAC1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C12H23N3O/c1-15-7-6-10(9-15)8-13-12(16)14-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyXAWVAOKLCWMMLI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.18
Rot. Bonds3

About 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea

1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea (PubChem CID 110749371) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
PubChem CID110749371
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NC2CCCC2)C1
InChIInChI=1S/C12H23N3O/c1-15-7-6-10(9-15)8-13-12(16)14-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyXAWVAOKLCWMMLI-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea (CID 110749371) is 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea is CN1CCC(CNC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The InChIKey is XAWVAOKLCWMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-7-6-10(9-15)8-13-12(16)14-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea has a molecular weight of 225.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 110749371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).