1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile

C22H36N4O — CID 143598575

IUPAC1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile
SMILESCC(=O)CC#N.CC1CCCCC1.CCN1CCN(c2ccncc2)CC1
InChIInChI=1S/C11H17N3.C7H14.C4H5NO/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;1-7-5-3-2-4-6-7;1-4(6)2-3-5/h3-6H,2,7-10H2,1H3;7H,2-6H2,1H3;2H2,1H3
InChIKeyREYVHJPSIYJNDC-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.30
Rot. Bonds3

About 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile

1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile (PubChem CID 143598575) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile.

Molecular Properties

Compound Name1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile
PubChem CID143598575
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile
SMILESCC(=O)CC#N.CC1CCCCC1.CCN1CCN(c2ccncc2)CC1
InChIInChI=1S/C11H17N3.C7H14.C4H5NO/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;1-7-5-3-2-4-6-7;1-4(6)2-3-5/h3-6H,2,7-10H2,1H3;7H,2-6H2,1H3;2H2,1H3
InChIKeyREYVHJPSIYJNDC-UHFFFAOYSA-N
XLogP4.30
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-pyridin-4-yl-1,4-diazepane
CID 121451794
1-(3-ethoxyphenyl)-4-ethylpiperazine;3-methylbut-3-enenitrile;methylcyclohexane
CID 143598717
1-ethyl-4-(2-fluorophenyl)piperazine;3-methylbut-3-enenitrile;methylcyclohexane
CID 143598690
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
trans-(1S,2S)-2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981803
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812
(3aS,7aR)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9280439
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
CID 143598704
carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride
CID 67751020
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile?
The IUPAC name of 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile (CID 143598575) is 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile.
What is the SMILES notation for 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile?
The canonical SMILES for 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile is CC(=O)CC#N.CC1CCCCC1.CCN1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile?
The InChIKey is REYVHJPSIYJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C7H14.C4H5NO/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;1-7-5-3-2-4-6-7;1-4(6)2-3-5/h3-6H,2,7-10H2,1H3;7H,2-6H2,1H3;2H2,1H3.
What are the key properties of 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile?
1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile has a molecular weight of 372.56 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyridin-4-ylpiperazine;methylcyclohexane;3-oxobutanenitrile is sourced from PubChem (CID 143598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).