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

C19H26N4O — CID 108838711

IUPAC(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCc1cccc(CN/C=C(/C#N)C(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C19H26N4O/c1-15-5-4-6-16(11-15)13-21-14-17(12-20)19(24)23(3)18-7-9-22(2)10-8-18/h4-6,11,14,18,21H,7-10,13H2,1-3H3/b17-14-
InChIKeyUHGRZKKGMPJXQN-VKAVYKQESA-N
MW326.44 g/mol
LogP2.04
Rot. Bonds5

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

(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 108838711) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID108838711
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCc1cccc(CN/C=C(/C#N)C(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C19H26N4O/c1-15-5-4-6-16(11-15)13-21-14-17(12-20)19(24)23(3)18-7-9-22(2)10-8-18/h4-6,11,14,18,21H,7-10,13H2,1-3H3/b17-14-
InChIKeyUHGRZKKGMPJXQN-VKAVYKQESA-N
XLogP2.04
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.04
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)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838449
(Z)-3-[(3-bromophenyl)methylamino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830541
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830343
(Z)-2-cyano-3-[(2-methoxyphenyl)methylamino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838648
(Z)-2-cyano-N-methyl-3-[2-(2-methylphenyl)ethylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838717
(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
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838657
(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838679
(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838418
ethyl 2-[[(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]amino]acetate
CID 108838703
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838453

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide (CID 108838711) is (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide is Cc1cccc(CN/C=C(/C#N)C(=O)N(C)C2CCN(C)CC2)c1.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is UHGRZKKGMPJXQN-VKAVYKQESA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-5-4-6-16(11-15)13-21-14-17(12-20)19(24)23(3)18-7-9-22(2)10-8-18/h4-6,11,14,18,21H,7-10,13H2,1-3H3/b17-14-.
What are the key properties of (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide?
(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 326.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 108838711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).