N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide

C20H24N4O — CID 165435188

IUPACN-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2cc(C#N)c3ccccc3n2)C1
InChIInChI=1S/C20H24N4O/c1-20(2,3)23-19(25)14-7-6-10-24(13-14)18-11-15(12-21)16-8-4-5-9-17(16)22-18/h4-5,8-9,11,14H,6-7,10,13H2,1-3H3,(H,23,25)
InChIKeyFRCPSMXSQAYLPE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.24
Rot. Bonds2

About N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide

N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 165435188) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
PubChem CID165435188
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2cc(C#N)c3ccccc3n2)C1
InChIInChI=1S/C20H24N4O/c1-20(2,3)23-19(25)14-7-6-10-24(13-14)18-11-15(12-21)16-8-4-5-9-17(16)22-18/h4-5,8-9,11,14H,6-7,10,13H2,1-3H3,(H,23,25)
InChIKeyFRCPSMXSQAYLPE-UHFFFAOYSA-N
XLogP3.24
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
1-(4-cyano-6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326947
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
CID 172880720
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 63886216
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide (CID 165435188) is N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(c2cc(C#N)c3ccccc3n2)C1.
What is the InChIKey of N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is FRCPSMXSQAYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-20(2,3)23-19(25)14-7-6-10-24(13-14)18-11-15(12-21)16-8-4-5-9-17(16)22-18/h4-5,8-9,11,14H,6-7,10,13H2,1-3H3,(H,23,25).
What are the key properties of N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide?
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165435188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).