1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C23H30N6O — CID 129266493

IUPAC1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCN(c3ccc(C#N)c4ncccc34)CC2)CC1
InChIInChI=1S/C23H30N6O/c1-27-13-15-28(16-14-27)12-9-26-23(30)18-6-10-29(11-7-18)21-5-4-19(17-24)22-20(21)3-2-8-25-22/h2-5,8,18H,6-7,9-16H2,1H3,(H,26,30)
InChIKeyQWNGUASHVOVYBA-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.69
Rot. Bonds5

About 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 129266493) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID129266493
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCN(c3ccc(C#N)c4ncccc34)CC2)CC1
InChIInChI=1S/C23H30N6O/c1-27-13-15-28(16-14-27)12-9-26-23(30)18-6-10-29(11-7-18)21-5-4-19(17-24)22-20(21)3-2-8-25-22/h2-5,8,18H,6-7,9-16H2,1H3,(H,26,30)
InChIKeyQWNGUASHVOVYBA-UHFFFAOYSA-N
XLogP1.69
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide
CID 129266606
1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 146513179
1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 170237612
(3S,4S)-1-(8-cyanoquinolin-5-yl)-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 146440477
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
1-(8-cyanoquinolin-5-yl)-N-(1-ethylpiperidin-4-yl)-5,5-difluoropiperidine-3-carboxamide
CID 129257512
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
5-(3-formylpyrrolidin-1-yl)quinoline-8-carbonitrile
CID 146440660
5-[(3S,5S)-3-methyl-5-[(3R)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441484
5-[(3S,5S)-3-methyl-5-[(3S)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441485
1-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55933323
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 129266493) is 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is CN1CCN(CCNC(=O)C2CCN(c3ccc(C#N)c4ncccc34)CC2)CC1.
What is the InChIKey of 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is QWNGUASHVOVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-27-13-15-28(16-14-27)12-9-26-23(30)18-6-10-29(11-7-18)21-5-4-19(17-24)22-20(21)3-2-8-25-22/h2-5,8,18H,6-7,9-16H2,1H3,(H,26,30).
What are the key properties of 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 129266493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).