N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide

C23H26N4O2 — CID 55481954

IUPACN-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C23H26N4O2/c24-16-20-3-1-2-4-21(20)25-23(28)7-9-26-10-12-27(13-11-26)17-18-5-6-22-19(15-18)8-14-29-22/h1-6,15H,7-14,17H2,(H,25,28)
InChIKeyKCVRJDOALHBPIO-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.64
Rot. Bonds6

About N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide

N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 55481954) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
PubChem CID55481954
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C23H26N4O2/c24-16-20-3-1-2-4-21(20)25-23(28)7-9-26-10-12-27(13-11-26)17-18-5-6-22-19(15-18)8-14-29-22/h1-6,15H,7-14,17H2,(H,25,28)
InChIKeyKCVRJDOALHBPIO-UHFFFAOYSA-N
XLogP2.64
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9126554
N-(2-acetylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126831
3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 55482906
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 31607056
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-cyanophenyl)acetamide
CID 9258582
N-(5-chloro-2-methylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126526
(2S)-N-(4-cyanophenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
CID 9126989
N-(2-cyanophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55625690

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide (CID 55481954) is N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide is N#Cc1ccccc1NC(=O)CCN1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is KCVRJDOALHBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-16-20-3-1-2-4-21(20)25-23(28)7-9-26-10-12-27(13-11-26)17-18-5-6-22-19(15-18)8-14-29-22/h1-6,15H,7-14,17H2,(H,25,28).
What are the key properties of N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide?
N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55481954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).