4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile

C22H30N4O — CID 57442407

IUPAC4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1
InChIInChI=1S/C22H30N4O/c23-17-19-4-6-21(7-5-19)24-10-8-18(9-11-24)16-22(27)26-14-12-25(13-15-26)20-2-1-3-20/h4-7,18,20H,1-3,8-16H2
InChIKeyUZZMZJWSWDLGET-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.86
Rot. Bonds4

About 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile

4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile (PubChem CID 57442407) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile
PubChem CID57442407
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1
InChIInChI=1S/C22H30N4O/c23-17-19-4-6-21(7-5-19)24-10-8-18(9-11-24)16-22(27)26-14-12-25(13-15-26)20-2-1-3-20/h4-7,18,20H,1-3,8-16H2
InChIKeyUZZMZJWSWDLGET-UHFFFAOYSA-N
XLogP2.86
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
tert-butyl 4-[1-(4-cyanophenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 139714834
4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27329941
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
4-[4-(2-cyclopentyloxyacetyl)-1,4-diazepan-1-yl]benzonitrile
CID 51087251
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
2-cyclobutyl-1-(4-piperidin-3-ylpiperazin-1-yl)ethanone
CID 115277281
4-[4-[2-(diethylamino)acetyl]piperazin-1-yl]benzonitrile
CID 133287871
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile
CID 153358140
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile?
The IUPAC name of 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile (CID 57442407) is 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile is N#Cc1ccc(N2CCC(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile?
The InChIKey is UZZMZJWSWDLGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c23-17-19-4-6-21(7-5-19)24-10-8-18(9-11-24)16-22(27)26-14-12-25(13-15-26)20-2-1-3-20/h4-7,18,20H,1-3,8-16H2.
What are the key properties of 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile?
4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile has a molecular weight of 366.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 57442407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).