(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide

C18H22N4O2 — CID 166685204

IUPAC(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide
SMILESCNC(=O)/C=C(\N(C=O)Cc1ccccc1C#N)N1CCCCC1
InChIInChI=1S/C18H22N4O2/c1-20-17(24)11-18(21-9-5-2-6-10-21)22(14-23)13-16-8-4-3-7-15(16)12-19/h3-4,7-8,11,14H,2,5-6,9-10,13H2,1H3,(H,20,24)/b18-11-
InChIKeySWFFZOOJRFEDEK-WQRHYEAKSA-N
MW326.40 g/mol
LogP1.59
Rot. Bonds6

About (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide

(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide (PubChem CID 166685204) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide
PubChem CID166685204
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide
SMILESCNC(=O)/C=C(\N(C=O)Cc1ccccc1C#N)N1CCCCC1
InChIInChI=1S/C18H22N4O2/c1-20-17(24)11-18(21-9-5-2-6-10-21)22(14-23)13-16-8-4-3-7-15(16)12-19/h3-4,7-8,11,14H,2,5-6,9-10,13H2,1H3,(H,20,24)/b18-11-
InChIKeySWFFZOOJRFEDEK-WQRHYEAKSA-N
XLogP1.59
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N,N-dimethyl-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 166685273
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 31033858
3-[(2-cyanophenyl)methyl-propylamino]propanoic acid
CID 82327915
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
N-[(2-cyanophenyl)methyl]-N-methyl-3-(piperidin-1-ylmethylideneamino)-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 135248086
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
4-[2-carboxyethyl-[(2-cyanophenyl)methyl]amino]butanoic acid
CID 82327931
tert-butyl 3-[(2-cyanophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632873
3-[(2-cyanophenyl)methyl-(2-methoxyethyl)amino]propanoic acid
CID 82327928

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide?
The IUPAC name of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide (CID 166685204) is (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide?
The canonical SMILES for (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide is CNC(=O)/C=C(\N(C=O)Cc1ccccc1C#N)N1CCCCC1.
What is the InChIKey of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide?
The InChIKey is SWFFZOOJRFEDEK-WQRHYEAKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-17(24)11-18(21-9-5-2-6-10-21)22(14-23)13-16-8-4-3-7-15(16)12-19/h3-4,7-8,11,14H,2,5-6,9-10,13H2,1H3,(H,20,24)/b18-11-.
What are the key properties of (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide?
(Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide has a molecular weight of 326.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-cyanophenyl)methyl-formylamino]-N-methyl-3-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 166685204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).