(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine

C23H38N4 — CID 142354922

IUPAC(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C(C2CCN(C3CCN(C)CC3)CC2)=CN\1C1CCCCC1
InChIInChI=1S/C23H38N4/c1-3-21-22(17-27(23(21)24)20-7-5-4-6-8-20)18-9-15-26(16-10-18)19-11-13-25(2)14-12-19/h3,17-20,24H,4-16H2,1-2H3/b21-3-,24-23+
InChIKeyZUFHBEYSCFAJOE-MJTIUWJCSA-N
MW370.59 g/mol
LogP4.25
Rot. Bonds3

About (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine

(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine (PubChem CID 142354922) has the molecular formula C23H38N4 and a molecular weight of 370.59 g/mol. Its IUPAC name is (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine
PubChem CID142354922
Molecular FormulaC23H38N4
Molecular Weight370.59 g/mol
Exact Mass370.31
IUPAC Name(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C(C2CCN(C3CCN(C)CC3)CC2)=CN\1C1CCCCC1
InChIInChI=1S/C23H38N4/c1-3-21-22(17-27(23(21)24)20-7-5-4-6-8-20)18-9-15-26(16-10-18)19-11-13-25(2)14-12-19/h3,17-20,24H,4-16H2,1-2H3/b21-3-,24-23+
InChIKeyZUFHBEYSCFAJOE-MJTIUWJCSA-N
XLogP4.25
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
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-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine with MolForge

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Related Compounds

(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine
CID 142354927
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
(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-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine (CID 142354922) is (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine is [H]/N=C1C(=C/C)\C(C2CCN(C3CCN(C)CC3)CC2)=CN\1C1CCCCC1.
What is the InChIKey of (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine?
The InChIKey is ZUFHBEYSCFAJOE-MJTIUWJCSA-N. The full InChI is InChI=1S/C23H38N4/c1-3-21-22(17-27(23(21)24)20-7-5-4-6-8-20)18-9-15-26(16-10-18)19-11-13-25(2)14-12-19/h3,17-20,24H,4-16H2,1-2H3/b21-3-,24-23+.
What are the key properties of (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine?
(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine has a molecular weight of 370.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine is sourced from PubChem (CID 142354922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).