(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide

C15H26N4O2 — CID 108836899

IUPAC(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
SMILESCCCCOCCCNC(=O)/C(C#N)=C\N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-2-3-10-21-11-4-5-18-15(20)14(12-16)13-19-8-6-17-7-9-19/h13,17H,2-11H2,1H3,(H,18,20)/b14-13-
InChIKeyKQFOJLBQNJMKRG-YPKPFQOOSA-N
MW294.40 g/mol
LogP0.62
Rot. Bonds9

About (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide

(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide (PubChem CID 108836899) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
PubChem CID108836899
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
SMILESCCCCOCCCNC(=O)/C(C#N)=C\N1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-2-3-10-21-11-4-5-18-15(20)14(12-16)13-19-8-6-17-7-9-19/h13,17H,2-11H2,1H3,(H,18,20)/b14-13-
InChIKeyKQFOJLBQNJMKRG-YPKPFQOOSA-N
XLogP0.62
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
CID 108836963
methyl 4-[(Z)-3-(3-butoxypropylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108837252
(Z)-N-(3-butoxypropyl)-2-cyano-3-(4-methylsulfonylpiperazin-1-yl)prop-2-enamide
CID 108837249
(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
CID 108833701
(Z)-N-(3-butoxypropyl)-2-cyano-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-enamide
CID 108837251
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108833594
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 98429495
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108834207
tert-butyl 4-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108833913
(Z)-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 108836683
(Z)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)prop-2-enamide
CID 108834108
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide?
The IUPAC name of (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide (CID 108836899) is (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide is CCCCOCCCNC(=O)/C(C#N)=C\N1CCNCC1.
What is the InChIKey of (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide?
The InChIKey is KQFOJLBQNJMKRG-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-3-10-21-11-4-5-18-15(20)14(12-16)13-19-8-6-17-7-9-19/h13,17H,2-11H2,1H3,(H,18,20)/b14-13-.
What are the key properties of (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide?
(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide is sourced from PubChem (CID 108836899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).