N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide

C13H17N3O3 — CID 63103835

IUPACN-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccc3c(c2)OCO3)CN1
InChIInChI=1S/C13H17N3O3/c1-8-5-15-10(6-14-8)13(17)16-9-2-3-11-12(4-9)19-7-18-11/h2-4,8,10,14-15H,5-7H2,1H3,(H,16,17)
InChIKeyREBNJFAVPVYHOJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.30
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide (PubChem CID 63103835) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
PubChem CID63103835
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccc3c(c2)OCO3)CN1
InChIInChI=1S/C13H17N3O3/c1-8-5-15-10(6-14-8)13(17)16-9-2-3-11-12(4-9)19-7-18-11/h2-4,8,10,14-15H,5-7H2,1H3,(H,16,17)
InChIKeyREBNJFAVPVYHOJ-UHFFFAOYSA-N
XLogP0.30
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291
N-(1,3-benzodioxol-5-yl)-1-methylpyrrolidin-1-ium-2-carboxamide
CID 3466512
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93235059
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
N-(1,3-benzodioxol-5-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798048
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 24698635

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide (CID 63103835) is N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)Nc2ccc3c(c2)OCO3)CN1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide?
The InChIKey is REBNJFAVPVYHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-5-15-10(6-14-8)13(17)16-9-2-3-11-12(4-9)19-7-18-11/h2-4,8,10,14-15H,5-7H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63103835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).