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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Related Compounds

3-[1-(Cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 75379635
1-Isopropyl-3-((1-(2-methoxyethyl)piperidin-4-yl)methyl)urea
CID 45558725
N-ethyl-4-[(R)-2-cyclopropyl-2-hydroxyethyl]-1-piperazinecarboxamide
CID 97039180
1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 53616052
1-(Cyclopropylmethyl)-3-(3-ethyl-2-hydroxypentyl)urea
CID 56787603
N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 56824786
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
1-(2-Cyclopropyl-2-hydroxyethyl)-3-(1-propylpiperidin-4-yl)urea
CID 71867887
N-(1-cyclopropylethyl)-3-ethoxypiperidine-1-carboxamide
CID 71937232
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
(3S,4S)-3-fluoro-N-(2-hydroxyethyl)-4-methylpiperidine-1-carboxamide
CID 156329453
1-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 95187325

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).