(6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one

C22H30N4O2 — CID 156882879

IUPAC(6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one
SMILESC=N/C=C1C(=N\c2ccc(C)cc2OC)\N(C2CCCC2)C(CC)C(=O)N\1C
InChIInChI=1S/C22H30N4O2/c1-6-18-22(27)25(4)19(14-23-3)21(26(18)16-9-7-8-10-16)24-17-12-11-15(2)13-20(17)28-5/h11-14,16,18H,3,6-10H2,1-2,4-5H3/b19-14+,24-21-
InChIKeyASKBGDQETYDIRG-KSGJJIRRSA-N
MW382.51 g/mol
LogP4.07
Rot. Bonds5

About (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one

(6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one (PubChem CID 156882879) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one.

Molecular Properties

Compound Name(6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one
PubChem CID156882879
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one
SMILESC=N/C=C1C(=N\c2ccc(C)cc2OC)\N(C2CCCC2)C(CC)C(=O)N\1C
InChIInChI=1S/C22H30N4O2/c1-6-18-22(27)25(4)19(14-23-3)21(26(18)16-9-7-8-10-16)24-17-12-11-15(2)13-20(17)28-5/h11-14,16,18H,3,6-10H2,1-2,4-5H3/b19-14+,24-21-
InChIKeyASKBGDQETYDIRG-KSGJJIRRSA-N
XLogP4.07
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-[4-cyclopentyl-5-ethyl-3-(4-formyl-2-methoxyphenyl)imino-1-methyl-6-oxopiperazin-2-ylidene]methyl]methanimidamide
CID 156883047
2-amino-3-[3-[[4-[amino-[(Z)-2-amino-2-[4-[[1-cyclopentyl-6-ethyl-4-methyl-3-[(methylideneamino)methylidene]-5-oxopiperazin-2-ylidene]amino]-3-methoxyphenyl]ethenyl]amino]cyclohexyl]amino]butan-2-yldisulfanyl]propanal
CID 174041483
4-[[(E)-1-[(E)-[(3E)-1-cyclopentyl-6-ethyl-3-ethylidene-4-methyl-5-oxopiperazin-2-ylidene]amino]-2-methylbut-1-enyl]amino]-3-methoxy-N-piperidin-4-ylbenzamide
CID 143896462
(2E,3E)-1-cyclopentyl-3-ethylidene-2-[1-(2-methoxy-4-methylanilino)ethenylimino]-4-methyl-6-prop-2-enyl-1,4-diazepan-5-one
CID 143809854
8-cyclopentyl-7-ethyl-2-(4-fluoro-2-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 171081446
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684932
(3aS,7aS)-2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9320305
4-[1-[(E)-[(3E)-1-cyclopentyl-6-ethyl-3-ethylidene-4-methyl-5-oxopiperazin-2-ylidene]amino]ethenylamino]-3-methoxy-N-[1-[2-[(4-methyl-1-nitroso-1-oxopentan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 143660413
(2-methoxy-4-methylphenyl) 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8862828
N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
CID 90458221
8-cyclopentyl-7-ethyl-2-(2-methoxy-4-propan-2-ylanilino)-5-methyl-7H-pteridin-6-one
CID 171081017
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463

Frequently Asked Questions

What is the IUPAC name of (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one?
The IUPAC name of (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one (CID 156882879) is (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one.
What is the SMILES notation for (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one?
The canonical SMILES for (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one is C=N/C=C1C(=N\c2ccc(C)cc2OC)\N(C2CCCC2)C(CC)C(=O)N\1C.
What is the InChIKey of (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one?
The InChIKey is ASKBGDQETYDIRG-KSGJJIRRSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-18-22(27)25(4)19(14-23-3)21(26(18)16-9-7-8-10-16)24-17-12-11-15(2)13-20(17)28-5/h11-14,16,18H,3,6-10H2,1-2,4-5H3/b19-14+,24-21-.
What are the key properties of (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one?
(6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one has a molecular weight of 382.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-cyclopentyl-3-ethyl-5-(2-methoxy-4-methylphenyl)imino-1-methyl-6-[(methylideneamino)methylidene]piperazin-2-one is sourced from PubChem (CID 156882879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).