1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea

C12H24N4O — CID 117235872

IUPAC1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)NCC1CNC1
InChIInChI=1S/C12H24N4O/c17-12(15-10-11-8-13-9-11)14-4-7-16-5-2-1-3-6-16/h11,13H,1-10H2,(H2,14,15,17)
InChIKeyKDFNZHRLRCIUPJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.01
Rot. Bonds5

About 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea

1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 117235872) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID117235872
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)NCC1CNC1
InChIInChI=1S/C12H24N4O/c17-12(15-10-11-8-13-9-11)14-4-7-16-5-2-1-3-6-16/h11,13H,1-10H2,(H2,14,15,17)
InChIKeyKDFNZHRLRCIUPJ-UHFFFAOYSA-N
XLogP-0.01
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-piperidin-1-ylethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235876
1-(azetidin-3-ylmethyl)-3-(2-morpholin-4-ylethyl)urea
CID 117235873
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 52535068
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 51125795
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-[[(3R)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 52535572

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea (CID 117235872) is 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)NCC1CNC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is KDFNZHRLRCIUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c17-12(15-10-11-8-13-9-11)14-4-7-16-5-2-1-3-6-16/h11,13H,1-10H2,(H2,14,15,17).
What are the key properties of 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea?
1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 240.35 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 117235872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).