1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea

C12H23N3O2 — CID 113400570

IUPAC1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCC1(CNC(=O)NC2CCOC2)CCNCC1
InChIInChI=1S/C12H23N3O2/c1-12(3-5-13-6-4-12)9-14-11(16)15-10-2-7-17-8-10/h10,13H,2-9H2,1H3,(H2,14,15,16)
InChIKeyUPOFVJLVXHGFHX-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.46
Rot. Bonds3

About 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea

1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 113400570) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID113400570
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCC1(CNC(=O)NC2CCOC2)CCNCC1
InChIInChI=1S/C12H23N3O2/c1-12(3-5-13-6-4-12)9-14-11(16)15-10-2-7-17-8-10/h10,13H,2-9H2,1H3,(H2,14,15,16)
InChIKeyUPOFVJLVXHGFHX-UHFFFAOYSA-N
XLogP0.46
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
N-[(4-methylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 113400555
1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
CID 112703946
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 114700112
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624335
N-[(4-methylpiperidin-4-yl)methyl]morpholine-4-carboxamide
CID 113400569

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea (CID 113400570) is 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea is CC1(CNC(=O)NC2CCOC2)CCNCC1.
What is the InChIKey of 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is UPOFVJLVXHGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(3-5-13-6-4-12)9-14-11(16)15-10-2-7-17-8-10/h10,13H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 241.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 113400570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).