N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C17H16N4O3 — CID 2100948

IUPACN-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H16N4O3/c18-12-13-4-1-2-5-14(13)19-17(23)21-9-7-20(8-10-21)16(22)15-6-3-11-24-15/h1-6,11H,7-10H2,(H,19,23)
InChIKeyHFGNXRVTFKWEEC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.14
Rot. Bonds2

About N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 2100948) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID2100948
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H16N4O3/c18-12-13-4-1-2-5-14(13)19-17(23)21-9-7-20(8-10-21)16(22)15-6-3-11-24-15/h1-6,11H,7-10H2,(H,19,23)
InChIKeyHFGNXRVTFKWEEC-UHFFFAOYSA-N
XLogP2.14
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-cyano-N-(2-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
CID 108826797
2-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
CID 109030143
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 56557256
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 2100948) is N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is N#Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is HFGNXRVTFKWEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c18-12-13-4-1-2-5-14(13)19-17(23)21-9-7-20(8-10-21)16(22)15-6-3-11-24-15/h1-6,11H,7-10H2,(H,19,23).
What are the key properties of N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 2100948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).