1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea

C13H23N3O — CID 84584119

IUPAC1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
SMILESCN(C(=O)NC1CCN(C2CC2)CC1)C1CC1
InChIInChI=1S/C13H23N3O/c1-15(11-2-3-11)13(17)14-10-6-8-16(9-7-10)12-4-5-12/h10-12H,2-9H2,1H3,(H,14,17)
InChIKeyAKZMUZMJIPYEMI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.42
Rot. Bonds3

About 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea

1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea (PubChem CID 84584119) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
PubChem CID84584119
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
SMILESCN(C(=O)NC1CCN(C2CC2)CC1)C1CC1
InChIInChI=1S/C13H23N3O/c1-15(11-2-3-11)13(17)14-10-6-8-16(9-7-10)12-4-5-12/h10-12H,2-9H2,1H3,(H,14,17)
InChIKeyAKZMUZMJIPYEMI-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea (CID 84584119) is 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea is CN(C(=O)NC1CCN(C2CC2)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
The InChIKey is AKZMUZMJIPYEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15(11-2-3-11)13(17)14-10-6-8-16(9-7-10)12-4-5-12/h10-12H,2-9H2,1H3,(H,14,17).
What are the key properties of 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea?
1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea has a molecular weight of 237.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea is sourced from PubChem (CID 84584119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).