(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine

C24H38N4 — CID 142354944

IUPAC(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine
SMILES[H]/N=C1C(=C\C)/C(C2CCN(C(=C)C3C=CNC3)CC2)=CN/1C(CCC)CCC
InChIInChI=1S/C24H38N4/c1-5-8-21(9-6-2)28-17-23(22(7-3)24(28)25)19-11-14-27(15-12-19)18(4)20-10-13-26-16-20/h7,10,13,17,19-21,25-26H,4-6,8-9,11-12,14-16H2,1-3H3/b22-7-,25-24-
InChIKeyMFPQYNJSLJGZPX-MPKCLKPLSA-N
MW382.60 g/mol
LogP5.04
Rot. Bonds8

About (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine

(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine (PubChem CID 142354944) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine
PubChem CID142354944
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC Name(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine
SMILES[H]/N=C1C(=C\C)/C(C2CCN(C(=C)C3C=CNC3)CC2)=CN/1C(CCC)CCC
InChIInChI=1S/C24H38N4/c1-5-8-21(9-6-2)28-17-23(22(7-3)24(28)25)19-11-14-27(15-12-19)18(4)20-10-13-26-16-20/h7,10,13,17,19-21,25-26H,4-6,8-9,11-12,14-16H2,1-3H3/b22-7-,25-24-
InChIKeyMFPQYNJSLJGZPX-MPKCLKPLSA-N
XLogP5.04
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 55.04
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'}

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Related Compounds

(Z)-[(2E)-1-[N-but-1-en-2-yl-C-[(E)-1-fluoroprop-1-enyl]carbonimidoyl]-2-(3-methylbutylidene)-4-piperidin-4-ylpyrrol-3-ylidene]methanamine
CID 146504423
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
(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
(E,2E)-2-ethylidene-4-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]-5-methyl-1-piperazin-1-ylhept-3-en-1-imine
CID 145324460
N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
CID 163276634
4-heptan-4-yl-2-(C-piperazin-1-yl-N-prop-1-en-2-ylcarbonimidoyl)cyclopenta-1,4-dien-1-amine
CID 166164453
(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine
CID 167047804
butane;(3E)-4-butan-2-yl-N-[(E)-but-1-enyl]-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine;ethane;propane
CID 168184633
butane;(3E)-4-butan-2-yl-N-[(E)-but-1-enyl]-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine;propane
CID 168184906
(3E)-N-[(E)-but-1-enyl]-4-(3-methylbutan-2-yl)-3-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-2-amine;ethane
CID 168185735

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine?
The IUPAC name of (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) is (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine.
What is the SMILES notation for (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine?
The canonical SMILES for (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine is [H]/N=C1C(=C\C)/C(C2CCN(C(=C)C3C=CNC3)CC2)=CN/1C(CCC)CCC.
What is the InChIKey of (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine?
The InChIKey is MFPQYNJSLJGZPX-MPKCLKPLSA-N. The full InChI is InChI=1S/C24H38N4/c1-5-8-21(9-6-2)28-17-23(22(7-3)24(28)25)19-11-14-27(15-12-19)18(4)20-10-13-26-16-20/h7,10,13,17,19-21,25-26H,4-6,8-9,11-12,14-16H2,1-3H3/b22-7-,25-24-.
What are the key properties of (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine?
(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine has a molecular weight of 382.60 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine is sourced from PubChem (CID 142354944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).