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

C12H23N3O2 — CID 114700112

IUPAC1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCC1CNCCC1CNC(=O)NC1CCOC1
InChIInChI=1S/C12H23N3O2/c1-9-6-13-4-2-10(9)7-14-12(16)15-11-3-5-17-8-11/h9-11,13H,2-8H2,1H3,(H2,14,15,16)
InChIKeyIEQAJSKSRZFZQV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.32
Rot. Bonds3

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

1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 114700112) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID114700112
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCC1CNCCC1CNC(=O)NC1CCOC1
InChIInChI=1S/C12H23N3O2/c1-9-6-13-4-2-10(9)7-14-12(16)15-11-3-5-17-8-11/h9-11,13H,2-8H2,1H3,(H2,14,15,16)
InChIKeyIEQAJSKSRZFZQV-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 166259351
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113400570
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
N-(oxolan-3-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 130763263
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
CID 107295552
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
5-methyl-N-(oxolan-3-yl)piperidine-3-carboxamide
CID 80712802

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea (CID 114700112) is 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea is CC1CNCCC1CNC(=O)NC1CCOC1.
What is the InChIKey of 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is IEQAJSKSRZFZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-6-13-4-2-10(9)7-14-12(16)15-11-3-5-17-8-11/h9-11,13H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 241.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 114700112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).