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

C14H19N3O2 — CID 115171539

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCNCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19N3O2/c1-16(14(18)17-7-5-15-6-8-17)12-2-3-13-11(10-12)4-9-19-13/h2-3,10,15H,4-9H2,1H3
InChIKeyNLJMIJAWHYSXQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.08
Rot. Bonds1

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

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide (PubChem CID 115171539) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
PubChem CID115171539
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCNCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19N3O2/c1-16(14(18)17-7-5-15-6-8-17)12-2-3-13-11(10-12)4-9-19-13/h2-3,10,15H,4-9H2,1H3
InChIKeyNLJMIJAWHYSXQK-UHFFFAOYSA-N
XLogP1.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
CID 97226830
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide (CID 115171539) is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide is CN(C(=O)N1CCNCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide?
The InChIKey is NLJMIJAWHYSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(14(18)17-7-5-15-6-8-17)12-2-3-13-11(10-12)4-9-19-13/h2-3,10,15H,4-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 115171539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).