N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C19H20N4O3 — CID 37376304

IUPACN-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H20N4O3/c20-14-15-3-5-16(6-4-15)21-18(24)7-8-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7-12H2,(H,21,24)
InChIKeyJWLLLGZRHXRRHQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.94
Rot. Bonds5

About N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 37376304) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID37376304
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H20N4O3/c20-14-15-3-5-16(6-4-15)21-18(24)7-8-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7-12H2,(H,21,24)
InChIKeyJWLLLGZRHXRRHQ-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-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37375440
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 37376311
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 37376304) is N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is N#Cc1ccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is JWLLLGZRHXRRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-14-15-3-5-16(6-4-15)21-18(24)7-8-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7-12H2,(H,21,24).
What are the key properties of N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide 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 N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 37376304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).