(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine

C22H36N4 — CID 142354927

IUPAC(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C(C2CCN(C3CCNCC3)CC2)=CN\1C1CCCCC1
InChIInChI=1S/C22H36N4/c1-2-20-21(16-26(22(20)23)19-6-4-3-5-7-19)17-10-14-25(15-11-17)18-8-12-24-13-9-18/h2,16-19,23-24H,3-15H2,1H3/b20-2-,23-22+
InChIKeyLUUGOBHWCZICOX-MVKXLZOESA-N
MW356.56 g/mol
LogP3.91
Rot. Bonds3

About (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine

(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine (PubChem CID 142354927) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine
PubChem CID142354927
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C(C2CCN(C3CCNCC3)CC2)=CN\1C1CCCCC1
InChIInChI=1S/C22H36N4/c1-2-20-21(16-26(22(20)23)19-6-4-3-5-7-19)17-10-14-25(15-11-17)18-8-12-24-13-9-18/h2,16-19,23-24H,3-15H2,1H3/b20-2-,23-22+
InChIKeyLUUGOBHWCZICOX-MVKXLZOESA-N
XLogP3.91
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine with MolForge

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Related Compounds

(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine
CID 142354922
(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine
CID 142354944
butan-1-amine;(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine;ethane;3-ethylpent-1-ene
CID 142354951
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-propan-2-ylpiperidin-4-yl)pyrrol-2-imine;ethane
CID 142354954
[1,4-dimethyl-2-[1-[1-(1-methylpiperidin-3-yl)ethenyl]piperidin-4-yl]-6-propan-2-ylimino-2H-pyridin-5-ylidene]methanamine
CID 173759245
[6-cyclohexylimino-4-ethyl-1-methyl-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2H-pyridin-5-ylidene]methanamine
CID 173759252
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine
CID 142354952
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-propan-2-ylpiperidin-4-yl)pyrrol-2-imine
CID 142354955

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine (CID 142354927) is (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine is [H]/N=C1C(=C/C)\C(C2CCN(C3CCNCC3)CC2)=CN\1C1CCCCC1.
What is the InChIKey of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine?
The InChIKey is LUUGOBHWCZICOX-MVKXLZOESA-N. The full InChI is InChI=1S/C22H36N4/c1-2-20-21(16-26(22(20)23)19-6-4-3-5-7-19)17-10-14-25(15-11-17)18-8-12-24-13-9-18/h2,16-19,23-24H,3-15H2,1H3/b20-2-,23-22+.
What are the key properties of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine?
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine has a molecular weight of 356.56 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine is sourced from PubChem (CID 142354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).