2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile

C19H20N4O3 — CID 109030143

IUPAC2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
SMILESN#Cc1ccccc1NCCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H20N4O3/c20-14-15-4-1-2-5-16(15)21-8-7-18(24)22-9-11-23(12-10-22)19(25)17-6-3-13-26-17/h1-6,13,21H,7-12H2
InChIKeyBSEAYKUTAHUTFW-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.94
Rot. Bonds5

About 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile

2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile (PubChem CID 109030143) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
PubChem CID109030143
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
SMILESN#Cc1ccccc1NCCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H20N4O3/c20-14-15-4-1-2-5-16(15)21-8-7-18(24)22-9-11-23(12-10-22)19(25)17-6-3-13-26-17/h1-6,13,21H,7-12H2
InChIKeyBSEAYKUTAHUTFW-UHFFFAOYSA-N
XLogP1.94
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
3-(2,4-difluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030134
(Z)-2-cyano-N-(2-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
CID 108826797
2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]amino]benzonitrile
CID 109024518
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109030150
3-(3-chloro-4-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030101
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile?
The IUPAC name of 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile (CID 109030143) is 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile.
What is the SMILES notation for 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile?
The canonical SMILES for 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile is N#Cc1ccccc1NCCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile?
The InChIKey is BSEAYKUTAHUTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-14-15-4-1-2-5-16(15)21-8-7-18(24)22-9-11-23(12-10-22)19(25)17-6-3-13-26-17/h1-6,13,21H,7-12H2.
What are the key properties of 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile?
2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile has a molecular weight of 352.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile is sourced from PubChem (CID 109030143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).