3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea

C13H25N3O — CID 79721029

IUPAC3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCNCC1)C(=O)NC1CC1
InChIInChI=1S/C13H25N3O/c1-2-9-16(13(17)15-12-3-4-12)10-11-5-7-14-8-6-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyQIPOYFAJHRFMFL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.57
Rot. Bonds5

About 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea

3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea (PubChem CID 79721029) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
PubChem CID79721029
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCNCC1)C(=O)NC1CC1
InChIInChI=1S/C13H25N3O/c1-2-9-16(13(17)15-12-3-4-12)10-11-5-7-14-8-6-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyQIPOYFAJHRFMFL-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
2-ethyl-N-(piperidin-4-ylmethyl)-N-propylbutanamide
CID 79721437
N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
CID 79702518
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
N-piperidin-4-yl-N',N'-dipropylbutanediamide
CID 119386125
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
N-(piperidin-4-ylmethyl)-N-propylpent-4-enamide
CID 79721360
2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79721209
5-oxo-N-(piperidin-4-ylmethyl)-N-propylpyrrolidine-2-carboxamide
CID 79721070
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea?
The IUPAC name of 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea (CID 79721029) is 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea?
The canonical SMILES for 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea is CCCN(CC1CCNCC1)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea?
The InChIKey is QIPOYFAJHRFMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-9-16(13(17)15-12-3-4-12)10-11-5-7-14-8-6-11/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea?
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea has a molecular weight of 239.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea is sourced from PubChem (CID 79721029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).