1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide

C12H19N3O2 — CID 115177813

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CNCCN2C)o1
InChIInChI=1S/C12H19N3O2/c1-9-3-4-10(17-9)7-14-12(16)11-8-13-5-6-15(11)2/h3-4,11,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyKWLPWJJOBNUXGD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.11
Rot. Bonds3

About 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide

1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide (PubChem CID 115177813) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
PubChem CID115177813
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CNCCN2C)o1
InChIInChI=1S/C12H19N3O2/c1-9-3-4-10(17-9)7-14-12(16)11-8-13-5-6-15(11)2/h3-4,11,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyKWLPWJJOBNUXGD-UHFFFAOYSA-N
XLogP0.11
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 115177787
N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177796
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115189094
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177804
2-(1,4-diazepan-1-yl)-N-[(5-methylfuran-2-yl)methyl]-2-oxoacetamide
CID 62522873
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
N-[(5-methylfuran-2-yl)methyl]azepane-2-carboxamide
CID 64571161
(2R,3R)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457260
2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 91837266

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide (CID 115177813) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide is Cc1ccc(CNC(=O)C2CNCCN2C)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide?
The InChIKey is KWLPWJJOBNUXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-3-4-10(17-9)7-14-12(16)11-8-13-5-6-15(11)2/h3-4,11,13H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide?
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 115177813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).