1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide

C13H23N5O2 — CID 110258499

IUPAC1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCc1nonc1CNC(=O)C1CN(C(C)C)CCN1C
InChIInChI=1S/C13H23N5O2/c1-9(2)18-6-5-17(4)12(8-18)13(19)14-7-11-10(3)15-20-16-11/h9,12H,5-8H2,1-4H3,(H,14,19)
InChIKeyKOEDWTFVSWNJFX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.02
Rot. Bonds4

About 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide

1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110258499) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID110258499
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCc1nonc1CNC(=O)C1CN(C(C)C)CCN1C
InChIInChI=1S/C13H23N5O2/c1-9(2)18-6-5-17(4)12(8-18)13(19)14-7-11-10(3)15-20-16-11/h9,12H,5-8H2,1-4H3,(H,14,19)
InChIKeyKOEDWTFVSWNJFX-UHFFFAOYSA-N
XLogP0.02
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidine-3-carboxamide
CID 130762934
1-N,1-N-dimethyl-4-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 91839718
(2R)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-(5-methylthiophen-2-yl)ethyl]piperazine-2-carboxamide
CID 125021863
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154921401
(1R,2R,3R,4S)-3-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495765
2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine
CID 131102017
1-[1,3-dioxo-2-(1-thiophen-2-ylethyl)isoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 45244172
4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide
CID 155916257
(1R,5R,6S,7R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-3-(pyridin-4-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 124808331
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
CID 166244060
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156583876

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide (CID 110258499) is 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide is Cc1nonc1CNC(=O)C1CN(C(C)C)CCN1C.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is KOEDWTFVSWNJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)18-6-5-17(4)12(8-18)13(19)14-7-11-10(3)15-20-16-11/h9,12H,5-8H2,1-4H3,(H,14,19).
What are the key properties of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).