(2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one

C15H23N3O2 — CID 171811445

IUPAC(2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one
SMILESC/C=C(C)\C=C(/N)C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-11(2)10-13(16)15(20)18-8-6-17(7-9-18)14(19)12-4-5-12/h3,10,12H,4-9,16H2,1-2H3/b11-3-,13-10-
InChIKeyOELYSAQYVMCSHD-WCBZKNPZSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds3

About (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one

(2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one (PubChem CID 171811445) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one
PubChem CID171811445
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one
SMILESC/C=C(C)\C=C(/N)C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-11(2)10-13(16)15(20)18-8-6-17(7-9-18)14(19)12-4-5-12/h3,10,12H,4-9,16H2,1-2H3/b11-3-,13-10-
InChIKeyOELYSAQYVMCSHD-WCBZKNPZSA-N
XLogP0.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(2Z,4Z)-1-[4-(2-fluorobutanoyl)piperazin-1-yl]-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-one
CID 171811098
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N-[(1,4-dimethyl-6-oxo-2-pyridinyl)methyl]-2-methylprop-2-enamide
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2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide
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3-Amino-1-(cyclopropylmethyl)-5-(1-methylpiperidin-4-yl)pyridin-2-one
CID 130267356
5-amino-1-(cyclopropylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 130268904
3-Amino-1-(2-cyclopropylethyl)-5-methylpyridin-2-one
CID 130269371
3,4-bis(ethenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 142187286
1-[(3E)-3-[2-(2-amino-5-methylcyclohepta-1,4,6-trien-1-yl)prop-2-enylidene]-4-(cyclopropanecarbonyl)-6-methyl-2-methylidenepiperazin-1-yl]ethanone
CID 146340692
5-piperazin-1-yl-3-propan-2-yl-1H-pyridin-2-one
CID 153622869

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one?
The IUPAC name of (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one (CID 171811445) is (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one.
What is the SMILES notation for (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one?
The canonical SMILES for (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one is C/C=C(C)\C=C(/N)C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one?
The InChIKey is OELYSAQYVMCSHD-WCBZKNPZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(2)10-13(16)15(20)18-8-6-17(7-9-18)14(19)12-4-5-12/h3,10,12H,4-9,16H2,1-2H3/b11-3-,13-10-.
What are the key properties of (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one?
(2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one has a molecular weight of 277.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methylhexa-2,4-dien-1-one is sourced from PubChem (CID 171811445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).