(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide

C15H26N4O — CID 108834351

IUPAC(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
SMILESCCC(C)NC(=O)/C(C#N)=C\N(C)C1CCN(C)CC1
InChIInChI=1S/C15H26N4O/c1-5-12(2)17-15(20)13(10-16)11-19(4)14-6-8-18(3)9-7-14/h11-12,14H,5-9H2,1-4H3,(H,17,20)/b13-11-
InChIKeyYILSETQOEUVHQE-QBFSEMIESA-N
MW278.40 g/mol
LogP1.33
Rot. Bonds5

About (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide

(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide (PubChem CID 108834351) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
PubChem CID108834351
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
SMILESCCC(C)NC(=O)/C(C#N)=C\N(C)C1CCN(C)CC1
InChIInChI=1S/C15H26N4O/c1-5-12(2)17-15(20)13(10-16)11-19(4)14-6-8-18(3)9-7-14/h11-12,14H,5-9H2,1-4H3,(H,17,20)/b13-11-
InChIKeyYILSETQOEUVHQE-QBFSEMIESA-N
XLogP1.33
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-chloropropyl)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108854042
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108847711
(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820584
N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108505387
(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108834513
(Z)-N-butan-2-yl-2-cyano-3-(methylamino)prop-2-enamide
CID 108834487
1-[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108834334
(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-N-propylprop-2-enamide
CID 108820190
(Z)-N-butan-2-yl-3-(tert-butylamino)-2-cyanoprop-2-enamide
CID 108834349
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838632
(Z)-N-butan-2-yl-2-cyano-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108834476
(Z)-2-(4-benzhydrylpiperazine-1-carbonyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enenitrile
CID 108832496

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide (CID 108834351) is (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide is CCC(C)NC(=O)/C(C#N)=C\N(C)C1CCN(C)CC1.
What is the InChIKey of (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide?
The InChIKey is YILSETQOEUVHQE-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-12(2)17-15(20)13(10-16)11-19(4)14-6-8-18(3)9-7-14/h11-12,14H,5-9H2,1-4H3,(H,17,20)/b13-11-.
What are the key properties of (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide?
(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide has a molecular weight of 278.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide is sourced from PubChem (CID 108834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).