1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea

C14H27N3O — CID 113222806

IUPAC1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-12(11-17-9-5-2-6-10-17)15-14(18)16-13-7-3-4-8-13/h12-13H,2-11H2,1H3,(H2,15,16,18)
InChIKeyLQKORPWMNCOFDR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea

1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 113222806) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
PubChem CID113222806
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O/c1-12(11-17-9-5-2-6-10-17)15-14(18)16-13-7-3-4-8-13/h12-13H,2-11H2,1H3,(H2,15,16,18)
InChIKeyLQKORPWMNCOFDR-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659
1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
CID 128943207
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea (CID 113222806) is 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea is CC(CN1CCCCC1)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is LQKORPWMNCOFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(11-17-9-5-2-6-10-17)15-14(18)16-13-7-3-4-8-13/h12-13H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 253.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 113222806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).