4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

C21H27N3O2 — CID 78857792

IUPAC4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCc2occc21)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c25-21(22-19-7-4-8-20-18(19)10-16-26-20)24-14-12-23(13-15-24)11-9-17-5-2-1-3-6-17/h1-3,5-6,10,16,19H,4,7-9,11-15H2,(H,22,25)
InChIKeyCSKHOEJFAVXYDU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds4

About 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide (PubChem CID 78857792) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
PubChem CID78857792
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCc2occc21)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c25-21(22-19-7-4-8-20-18(19)10-16-26-20)24-14-12-23(13-15-24)11-9-17-5-2-1-3-6-17/h1-3,5-6,10,16,19H,4,7-9,11-15H2,(H,22,25)
InChIKeyCSKHOEJFAVXYDU-UHFFFAOYSA-N
XLogP3.23
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
CID 78857796
1-(2-hydroxybenzoyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
CID 78898005
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465990
1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 87005888
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 95308044
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78898081
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
CID 86923897

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide (CID 78857792) is 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide is O=C(NC1CCCc2occc21)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The InChIKey is CSKHOEJFAVXYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(22-19-7-4-8-20-18(19)10-16-26-20)24-14-12-23(13-15-24)11-9-17-5-2-1-3-6-17/h1-3,5-6,10,16,19H,4,7-9,11-15H2,(H,22,25).
What are the key properties of 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 78857792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).