2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C22H26N4O2 — CID 165432276

IUPAC2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESN#Cc1cc(N2CCC(CC(=O)NC3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C22H26N4O2/c23-15-17-14-21(25-20-4-2-1-3-19(17)20)26-9-5-16(6-10-26)13-22(27)24-18-7-11-28-12-8-18/h1-4,14,16,18H,5-13H2,(H,24,27)
InChIKeyGZAPSCPUQQWVFU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.01
Rot. Bonds4

About 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165432276) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165432276
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESN#Cc1cc(N2CCC(CC(=O)NC3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C22H26N4O2/c23-15-17-14-21(25-20-4-2-1-3-19(17)20)26-9-5-16(6-10-26)13-22(27)24-18-7-11-28-12-8-18/h1-4,14,16,18H,5-13H2,(H,24,27)
InChIKeyGZAPSCPUQQWVFU-UHFFFAOYSA-N
XLogP3.01
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 172901791
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997312
2-(oxan-4-ylamino)quinoline-4-carbonitrile
CID 63885816
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165432276) is 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is N#Cc1cc(N2CCC(CC(=O)NC3CCOCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is GZAPSCPUQQWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-15-17-14-21(25-20-4-2-1-3-19(17)20)26-9-5-16(6-10-26)13-22(27)24-18-7-11-28-12-8-18/h1-4,14,16,18H,5-13H2,(H,24,27).
What are the key properties of 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165432276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).