3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea

C14H27N3O2 — CID 75421109

IUPAC3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea
SMILESCC(O)CN1CCC(CN(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-11(18)9-17-7-5-12(6-8-17)10-16(2)14(19)15-13-3-4-13/h11-13,18H,3-10H2,1-2H3,(H,15,19)
InChIKeyBJVMYNXPRTYUKX-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds5

About 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea

3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea (PubChem CID 75421109) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea
PubChem CID75421109
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea
SMILESCC(O)CN1CCC(CN(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-11(18)9-17-7-5-12(6-8-17)10-16(2)14(19)15-13-3-4-13/h11-13,18H,3-10H2,1-2H3,(H,15,19)
InChIKeyBJVMYNXPRTYUKX-UHFFFAOYSA-N
XLogP0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea?
The IUPAC name of 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea (CID 75421109) is 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea.
What is the SMILES notation for 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea?
The canonical SMILES for 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea is CC(O)CN1CCC(CN(C)C(=O)NC2CC2)CC1.
What is the InChIKey of 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea?
The InChIKey is BJVMYNXPRTYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(18)9-17-7-5-12(6-8-17)10-16(2)14(19)15-13-3-4-13/h11-13,18H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea?
3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea has a molecular weight of 269.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea is sourced from PubChem (CID 75421109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).