N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

C19H23N5O2 — CID 132970131

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(22-5-3-15-1-2-17-16(13-15)4-12-26-17)24-10-8-23(9-11-24)18-14-20-6-7-21-18/h1-2,6-7,13-14H,3-5,8-12H2,(H,22,25)
InChIKeyHSYLPPYWWSHWAO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 132970131) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID132970131
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(22-5-3-15-1-2-17-16(13-15)4-12-26-17)24-10-8-23(9-11-24)18-14-20-6-7-21-18/h1-2,6-7,13-14H,3-5,8-12H2,(H,22,25)
InChIKeyHSYLPPYWWSHWAO-UHFFFAOYSA-N
XLogP1.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 18144616
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990073
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 136514945
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 71754922
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide
CID 100611990
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111562426
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111563747

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 132970131) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is O=C(NCCc1ccc2c(c1)CCO2)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is HSYLPPYWWSHWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-19(22-5-3-15-1-2-17-16(13-15)4-12-26-17)24-10-8-23(9-11-24)18-14-20-6-7-21-18/h1-2,6-7,13-14H,3-5,8-12H2,(H,22,25).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 132970131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).