[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C15H23N3O — CID 138601250

IUPAC[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESC=N/C(=C\C=C/C)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H23N3O/c1-4-5-6-13(16-2)15(7-8-15)14(19)18-11-9-17(3)10-12-18/h4-6H,2,7-12H2,1,3H3/b5-4-,13-6-
InChIKeyMHDWRDGXXBZSHN-YIDBNINZSA-N
MW261.37 g/mol
LogP1.70
Rot. Bonds4

About [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 138601250) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID138601250
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESC=N/C(=C\C=C/C)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H23N3O/c1-4-5-6-13(16-2)15(7-8-15)14(19)18-11-9-17(3)10-12-18/h4-6H,2,7-12H2,1,3H3/b5-4-,13-6-
InChIKeyMHDWRDGXXBZSHN-YIDBNINZSA-N
XLogP1.70
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097632
1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
1-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971184
N-cyclopentyl-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971761
N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972855
(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 130161826
(4Z,6Z)-4-(methylideneamino)-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]octa-4,6-dien-1-one
CID 135161762
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142829570
4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 108974246
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,4-diazepane-1-carboxamide
CID 143501797

Frequently Asked Questions

What is the IUPAC name of [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 138601250) is [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is C=N/C(=C\C=C/C)C1(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MHDWRDGXXBZSHN-YIDBNINZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-5-6-13(16-2)15(7-8-15)14(19)18-11-9-17(3)10-12-18/h4-6H,2,7-12H2,1,3H3/b5-4-,13-6-.
What are the key properties of [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 138601250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).