5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide

C11H21N3O2 — CID 63102749

IUPAC5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCC2CCCO2)CN1
InChIInChI=1S/C11H21N3O2/c1-8-5-13-10(7-12-8)11(15)14-6-9-3-2-4-16-9/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyPRUVECYRTCZSJH-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.77
Rot. Bonds3

About 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide

5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 63102749) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide
PubChem CID63102749
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCC2CCCO2)CN1
InChIInChI=1S/C11H21N3O2/c1-8-5-13-10(7-12-8)11(15)14-6-9-3-2-4-16-9/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyPRUVECYRTCZSJH-UHFFFAOYSA-N
XLogP-0.77
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide
CID 63103322
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 18072457
6-methyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 55013596
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
5-oxo-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 110696695
N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 91659376
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide (CID 63102749) is 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide is CC1CNC(C(=O)NCC2CCCO2)CN1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is PRUVECYRTCZSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-5-13-10(7-12-8)11(15)14-6-9-3-2-4-16-9/h8-10,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide?
5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 63102749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).