1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea

C12H23N3O2 — CID 116655203

IUPAC1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCN1CCCCC1CNC(=O)NC1CCOC1
InChIInChI=1S/C12H23N3O2/c1-15-6-3-2-4-11(15)8-13-12(16)14-10-5-7-17-9-10/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyYBKCXBXJXSULHP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.56
Rot. Bonds3

About 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea

1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 116655203) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID116655203
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCN1CCCCC1CNC(=O)NC1CCOC1
InChIInChI=1S/C12H23N3O2/c1-15-6-3-2-4-11(15)8-13-12(16)14-10-5-7-17-9-10/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKeyYBKCXBXJXSULHP-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
CID 115688929
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106025288
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2,2,3-trimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 65264201
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
2,2-dimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]propanoic acid
CID 113308220
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
1-butyl-3-(oxolan-3-yl)urea
CID 115755742

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea (CID 116655203) is 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea is CN1CCCCC1CNC(=O)NC1CCOC1.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is YBKCXBXJXSULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15-6-3-2-4-11(15)8-13-12(16)14-10-5-7-17-9-10/h10-11H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 241.33 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 116655203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).