1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea

C13H25N3O — CID 115589989

IUPAC1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
SMILESCCN1CCCC(NC(=O)NC2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-2-16-9-5-8-12(10-16)15-13(17)14-11-6-3-4-7-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyCOMJFTVWPKMZQK-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds3

About 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea

1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea (PubChem CID 115589989) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
PubChem CID115589989
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
SMILESCCN1CCCC(NC(=O)NC2CCCC2)C1
InChIInChI=1S/C13H25N3O/c1-2-16-9-5-8-12(10-16)15-13(17)14-11-6-3-4-7-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyCOMJFTVWPKMZQK-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 124737020
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-ethylpiperidin-3-yl)urea
CID 75404998
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
1-ethyl-3-(1-ethylpiperidin-3-yl)-1-methylurea
CID 115604545
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451388
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid
CID 61478379
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea (CID 115589989) is 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea is CCN1CCCC(NC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea?
The InChIKey is COMJFTVWPKMZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-16-9-5-8-12(10-16)15-13(17)14-11-6-3-4-7-11/h11-12H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea?
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea has a molecular weight of 239.36 g/mol, XLogP of 1.71, 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-ethylpiperidin-3-yl)urea is sourced from PubChem (CID 115589989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).