3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide

C12H22N2O2 — CID 114696595

IUPAC3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C12H22N2O2/c1-9-3-8-16-10(9)11(15)14-12(2)4-6-13-7-5-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyBEXBKVYDUGGMLB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds2

About 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide

3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide (PubChem CID 114696595) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide
PubChem CID114696595
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C12H22N2O2/c1-9-3-8-16-10(9)11(15)14-12(2)4-6-13-7-5-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyBEXBKVYDUGGMLB-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 114826489
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
CID 114631025
N-(4-methylpiperidin-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696561
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide (CID 114696595) is 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide is CC1CCOC1C(=O)NC1(C)CCNCC1.
What is the InChIKey of 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide?
The InChIKey is BEXBKVYDUGGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-3-8-16-10(9)11(15)14-12(2)4-6-13-7-5-12/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide?
3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 114696595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).