1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea

C17H33N3O — CID 55933177

IUPAC1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
SMILESCC(CNC(=O)NCCC1CCCC1)CN1CCCCC1
InChIInChI=1S/C17H33N3O/c1-15(14-20-11-5-2-6-12-20)13-19-17(21)18-10-9-16-7-3-4-8-16/h15-16H,2-14H2,1H3,(H2,18,19,21)
InChIKeyYSZNYBBIACHHLO-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.99
Rot. Bonds7

About 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea

1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea (PubChem CID 55933177) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
PubChem CID55933177
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
SMILESCC(CNC(=O)NCCC1CCCC1)CN1CCCCC1
InChIInChI=1S/C17H33N3O/c1-15(14-20-11-5-2-6-12-20)13-19-17(21)18-10-9-16-7-3-4-8-16/h15-16H,2-14H2,1H3,(H2,18,19,21)
InChIKeyYSZNYBBIACHHLO-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
2-amino-2-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide
CID 54906617
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111338197
2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 66175959
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
N-(2-cyclopentylethyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 78892600
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111504730
(2R)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 103814027
3-(2-aminoethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992458

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea (CID 55933177) is 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea is CC(CNC(=O)NCCC1CCCC1)CN1CCCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The InChIKey is YSZNYBBIACHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(14-20-11-5-2-6-12-20)13-19-17(21)18-10-9-16-7-3-4-8-16/h15-16H,2-14H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea has a molecular weight of 295.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 55933177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).