1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea

C15H29N3O2 — CID 40641442

IUPAC1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(C[C@H]1CCCO1)C1CCN(C)CC1
InChIInChI=1S/C15H29N3O2/c1-3-8-16-15(19)18(12-14-5-4-11-20-14)13-6-9-17(2)10-7-13/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyMPHSJRBPIHGXQJ-CQSZACIVSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds5

About 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea

1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea (PubChem CID 40641442) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea
PubChem CID40641442
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(C[C@H]1CCCO1)C1CCN(C)CC1
InChIInChI=1S/C15H29N3O2/c1-3-8-16-15(19)18(12-14-5-4-11-20-14)13-6-9-17(2)10-7-13/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyMPHSJRBPIHGXQJ-CQSZACIVSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea 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

3-hexyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-2-ylmethyl)thiourea
CID 5172556
1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97048924
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97221526
1-methyl-1-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97261349
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 97080243
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-(oxolan-2-ylmethyl)urea
CID 71861206
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea (CID 40641442) is 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea is CCCNC(=O)N(C[C@H]1CCCO1)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea?
The InChIKey is MPHSJRBPIHGXQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-8-16-15(19)18(12-14-5-4-11-20-14)13-6-9-17(2)10-7-13/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea?
1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea has a molecular weight of 283.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea is sourced from PubChem (CID 40641442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).