N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide

C13H19N3O3 — CID 114822004

IUPACN,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCNCC2C(=O)N(C)C)co1
InChIInChI=1S/C13H19N3O3/c1-9-6-10(8-19-9)12(17)16-5-4-14-7-11(16)13(18)15(2)3/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyWOXGUAKCBRDFTP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.09
Rot. Bonds2

About N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide

N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide (PubChem CID 114822004) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
PubChem CID114822004
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCNCC2C(=O)N(C)C)co1
InChIInChI=1S/C13H19N3O3/c1-9-6-10(8-19-9)12(17)16-5-4-14-7-11(16)13(18)15(2)3/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyWOXGUAKCBRDFTP-UHFFFAOYSA-N
XLogP0.09
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methylfuran-3-yl)methanone
CID 104978989
1-(3-methoxythiophene-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81118721
1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 79427851
N,N-dimethyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83191600
N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide
CID 114826425
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285
methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454906
1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107707647
N,N-dimethyl-1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79163292

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide (CID 114822004) is N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide is Cc1cc(C(=O)N2CCNCC2C(=O)N(C)C)co1.
What is the InChIKey of N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is WOXGUAKCBRDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-10(8-19-9)12(17)16-5-4-14-7-11(16)13(18)15(2)3/h6,8,11,14H,4-5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide?
N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 114822004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).