N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide

C17H23N4O2+ — CID 7333617

IUPACN-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide
SMILESC[NH+]1CCN(C(=O)CCCC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-20-9-11-21(12-10-20)17(23)4-2-3-16(22)19-15-7-5-14(13-18)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,19,22)/p+1
InChIKeyVBODSDKXALYUFQ-UHFFFAOYSA-O
MW315.40 g/mol
LogP0.02
Rot. Bonds5

About N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide

N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide (PubChem CID 7333617) has the molecular formula C17H23N4O2+ and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide
PubChem CID7333617
Molecular FormulaC17H23N4O2+
Molecular Weight315.40 g/mol
Exact Mass315.18
IUPAC NameN-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide
SMILESC[NH+]1CCN(C(=O)CCCC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-20-9-11-21(12-10-20)17(23)4-2-3-16(22)19-15-7-5-14(13-18)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,19,22)/p+1
InChIKeyVBODSDKXALYUFQ-UHFFFAOYSA-O
XLogP0.02
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490993
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
CID 62879658
8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10287329

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide?
The IUPAC name of N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide (CID 7333617) is N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide is C[NH+]1CCN(C(=O)CCCC(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide?
The InChIKey is VBODSDKXALYUFQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N4O2/c1-20-9-11-21(12-10-20)17(23)4-2-3-16(22)19-15-7-5-14(13-18)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,19,22)/p+1.
What are the key properties of N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide?
N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide has a molecular weight of 315.40 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide is sourced from PubChem (CID 7333617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).