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

C18H17ClN4O3 — CID 3539401

IUPACN-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1Cl
InChIInChI=1S/C18H17ClN4O3/c19-15-10-14(4-3-13(15)11-20)21-17(24)12-22-5-7-23(8-6-22)18(25)16-2-1-9-26-16/h1-4,9-10H,5-8,12H2,(H,21,24)
InChIKeyPVMPBRGPXGNKJB-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.20
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 3539401) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID3539401
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1Cl
InChIInChI=1S/C18H17ClN4O3/c19-15-10-14(4-3-13(15)11-20)21-17(24)12-22-5-7-23(8-6-22)18(25)16-2-1-9-26-16/h1-4,9-10H,5-8,12H2,(H,21,24)
InChIKeyPVMPBRGPXGNKJB-UHFFFAOYSA-N
XLogP2.20
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207918
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5205501
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(3-chloro-4-cyanophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46807779
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 3539401) is N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is PVMPBRGPXGNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-15-10-14(4-3-13(15)11-20)21-17(24)12-22-5-7-23(8-6-22)18(25)16-2-1-9-26-16/h1-4,9-10H,5-8,12H2,(H,21,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3539401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).