5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide

C12H23N3O2 — CID 63103322

IUPAC5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCCC2CCCO2)CN1
InChIInChI=1S/C12H23N3O2/c1-9-7-15-11(8-14-9)12(16)13-5-4-10-3-2-6-17-10/h9-11,14-15H,2-8H2,1H3,(H,13,16)
InChIKeyNWDIGAAOXBOIQY-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.38
Rot. Bonds4

About 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide

5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide (PubChem CID 63103322) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide
PubChem CID63103322
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCCC2CCCO2)CN1
InChIInChI=1S/C12H23N3O2/c1-9-7-15-11(8-14-9)12(16)13-5-4-10-3-2-6-17-10/h9-11,14-15H,2-8H2,1H3,(H,13,16)
InChIKeyNWDIGAAOXBOIQY-UHFFFAOYSA-N
XLogP-0.38
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide
CID 63102749
N-[2-(oxolan-2-yl)ethyl]piperidine-2-carboxamide
CID 61038739
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
4-methyl-N-[2-(oxan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 114136026
N-[2-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469180
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782308
N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106000950
2,2-dimethyl-3-[2-(oxolan-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835996
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide (CID 63103322) is 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide is CC1CNC(C(=O)NCCC2CCCO2)CN1.
What is the InChIKey of 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is NWDIGAAOXBOIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-7-15-11(8-14-9)12(16)13-5-4-10-3-2-6-17-10/h9-11,14-15H,2-8H2,1H3,(H,13,16).
What are the key properties of 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide?
5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 63103322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).