1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea

C12H23N3O — CID 55457976

IUPAC1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)NC1CC1
InChIInChI=1S/C12H23N3O/c16-12(14-11-5-6-11)13-7-4-10-15-8-2-1-3-9-15/h11H,1-10H2,(H2,13,14,16)
InChIKeySHIQWAAAWOOKDQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.32
Rot. Bonds5

About 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea

1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 55457976) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
PubChem CID55457976
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)NC1CC1
InChIInChI=1S/C12H23N3O/c16-12(14-11-5-6-11)13-7-4-10-15-8-2-1-3-9-15/h11H,1-10H2,(H2,13,14,16)
InChIKeySHIQWAAAWOOKDQ-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
CID 142100841
1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618
1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 97080337
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
4-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide
CID 111324658
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea (CID 55457976) is 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea is O=C(NCCCN1CCCCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is SHIQWAAAWOOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(14-11-5-6-11)13-7-4-10-15-8-2-1-3-9-15/h11H,1-10H2,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea?
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 225.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 55457976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).