N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide

C16H22N4O — CID 65462769

IUPACN-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
SMILESCC1(C)CNCCN1CCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N4O/c1-16(2)12-18-8-10-20(16)9-7-15(21)19-14-5-3-13(11-17)4-6-14/h3-6,18H,7-10,12H2,1-2H3,(H,19,21)
InChIKeyQZWNQEDNIQPCGD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.57
Rot. Bonds4

About N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide

N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide (PubChem CID 65462769) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
PubChem CID65462769
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
SMILESCC1(C)CNCCN1CCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N4O/c1-16(2)12-18-8-10-20(16)9-7-15(21)19-14-5-3-13(11-17)4-6-14/h3-6,18H,7-10,12H2,1-2H3,(H,19,21)
InChIKeyQZWNQEDNIQPCGD-UHFFFAOYSA-N
XLogP1.57
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide (CID 65462769) is N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide is CC1(C)CNCCN1CCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide?
The InChIKey is QZWNQEDNIQPCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2)12-18-8-10-20(16)9-7-15(21)19-14-5-3-13(11-17)4-6-14/h3-6,18H,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide?
N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 65462769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).