5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide

C25H27N5O — CID 162787940

IUPAC5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide
SMILESN#Cc1cccc(N2CCN(CCCCC(=O)Nc3cnc4ccccc4c3)CC2)c1
InChIInChI=1S/C25H27N5O/c26-18-20-6-5-8-23(16-20)30-14-12-29(13-15-30)11-4-3-10-25(31)28-22-17-21-7-1-2-9-24(21)27-19-22/h1-2,5-9,16-17,19H,3-4,10-15H2,(H,28,31)
InChIKeyDDCLBQAQKIXUSM-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.04
Rot. Bonds7

About 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide

5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide (PubChem CID 162787940) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide.

Molecular Properties

Compound Name5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide
PubChem CID162787940
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide
SMILESN#Cc1cccc(N2CCN(CCCCC(=O)Nc3cnc4ccccc4c3)CC2)c1
InChIInChI=1S/C25H27N5O/c26-18-20-6-5-8-23(16-20)30-14-12-29(13-15-30)11-4-3-10-25(31)28-22-17-21-7-1-2-9-24(21)27-19-22/h1-2,5-9,16-17,19H,3-4,10-15H2,(H,28,31)
InChIKeyDDCLBQAQKIXUSM-UHFFFAOYSA-N
XLogP4.04
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 162787974
4-(4-phenylpiperazin-1-yl)-N-quinolin-6-ylbutanamide
CID 45136832
3-[4-(3-cyanophenyl)piperazin-1-yl]propanoic acid
CID 117028290
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-quinolin-3-ylbutanamide
CID 31030912
3-(4-propylpiperazin-1-yl)benzonitrile
CID 22397822
5-cyano-N-quinolin-3-ylpyridine-2-carboxamide
CID 63719125
N-(1,3-benzothiazol-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 122186392
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
CID 62838988
3-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]benzonitrile
CID 171327434

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide?
The IUPAC name of 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide (CID 162787940) is 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide.
What is the SMILES notation for 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide?
The canonical SMILES for 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide is N#Cc1cccc(N2CCN(CCCCC(=O)Nc3cnc4ccccc4c3)CC2)c1.
What is the InChIKey of 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide?
The InChIKey is DDCLBQAQKIXUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-18-20-6-5-8-23(16-20)30-14-12-29(13-15-30)11-4-3-10-25(31)28-22-17-21-7-1-2-9-24(21)27-19-22/h1-2,5-9,16-17,19H,3-4,10-15H2,(H,28,31).
What are the key properties of 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide?
5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide has a molecular weight of 413.53 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide is sourced from PubChem (CID 162787940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).