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

C19H34N4O — CID 108838632

IUPAC(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCC(C)CN(/C=C(/C#N)C(=O)N(C)C1CCN(C)CC1)CC(C)C
InChIInChI=1S/C19H34N4O/c1-15(2)12-23(13-16(3)4)14-17(11-20)19(24)22(6)18-7-9-21(5)10-8-18/h14-16,18H,7-10,12-13H2,1-6H3/b17-14-
InChIKeyVIXVAESCOGPJGU-VKAVYKQESA-N
MW334.51 g/mol
LogP2.56
Rot. Bonds7

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

(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 108838632) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID108838632
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCC(C)CN(/C=C(/C#N)C(=O)N(C)C1CCN(C)CC1)CC(C)C
InChIInChI=1S/C19H34N4O/c1-15(2)12-23(13-16(3)4)14-17(11-20)19(24)22(6)18-7-9-21(5)10-8-18/h14-16,18H,7-10,12-13H2,1-6H3/b17-14-
InChIKeyVIXVAESCOGPJGU-VKAVYKQESA-N
XLogP2.56
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
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)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838418
(Z)-2-cyano-3-(2,2-dimethoxyethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838619
1-[(Z)-3-[bis(2-methylpropyl)amino]-2-cyanoprop-2-enoyl]piperidine-4-carboxylic acid
CID 108832315
(Z)-2-cyano-3-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838588
(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108838404
ethyl 2-[[(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]amino]acetate
CID 108838703
(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108834351
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
CID 108830504
(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838711
(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108838681
(Z)-3-(2-bromo-4-methylanilino)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838682
tert-butyl 4-[(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108838749

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (CID 108838632) is (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is CC(C)CN(/C=C(/C#N)C(=O)N(C)C1CCN(C)CC1)CC(C)C.
What is the InChIKey of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is VIXVAESCOGPJGU-VKAVYKQESA-N. The full InChI is InChI=1S/C19H34N4O/c1-15(2)12-23(13-16(3)4)14-17(11-20)19(24)22(6)18-7-9-21(5)10-8-18/h14-16,18H,7-10,12-13H2,1-6H3/b17-14-.
What are the key properties of (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 334.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 108838632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).