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

C12H23N3O — CID 115579826

IUPAC1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NC1CC1
InChIInChI=1S/C12H23N3O/c1-10(9-15-7-3-2-4-8-15)13-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyAEEYCITVIZVYJF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.32
Rot. Bonds4

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

1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 115579826) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
PubChem CID115579826
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NC1CC1
InChIInChI=1S/C12H23N3O/c1-10(9-15-7-3-2-4-8-15)13-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyAEEYCITVIZVYJF-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
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
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea (CID 115579826) is 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea is CC(CN1CCCCC1)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is AEEYCITVIZVYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(9-15-7-3-2-4-8-15)13-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea?
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 225.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 115579826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).