(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide

C23H26N4O — CID 108835242

IUPAC(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H26N4O/c24-17-20(23(28)25-14-13-19-7-3-1-4-8-19)18-26-21-9-11-22(12-10-21)27-15-5-2-6-16-27/h1,3-4,7-12,18,26H,2,5-6,13-16H2,(H,25,28)/b20-18-
InChIKeyFWCNWQXWZCZUTQ-ZZEZOPTASA-N
MW374.49 g/mol
LogP3.86
Rot. Bonds7

About (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide

(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide (PubChem CID 108835242) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
PubChem CID108835242
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H26N4O/c24-17-20(23(28)25-14-13-19-7-3-1-4-8-19)18-26-21-9-11-22(12-10-21)27-15-5-2-6-16-27/h1,3-4,7-12,18,26H,2,5-6,13-16H2,(H,25,28)/b20-18-
InChIKeyFWCNWQXWZCZUTQ-ZZEZOPTASA-N
XLogP3.86
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108836354
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108863096
(Z)-3-anilino-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829246
4-[[(Z)-2-cyano-3-(4-piperidin-1-ylanilino)prop-2-enoyl]amino]benzoic acid
CID 108823346
(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835248
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108840824
(E)-2-cyano-3-(3,5-dimethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 7459702
2-[[(Z)-2-cyano-3-(4-piperidin-1-ylanilino)prop-2-enoyl]amino]propanoic acid
CID 108844878
(Z)-2-cyano-N-cyclopentyl-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835608
(Z)-N-butyl-2-cyano-3-[4-(4-methylpiperazin-1-yl)anilino]prop-2-enamide
CID 108833760
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124
(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835088

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide (CID 108835242) is (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
The InChIKey is FWCNWQXWZCZUTQ-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H26N4O/c24-17-20(23(28)25-14-13-19-7-3-1-4-8-19)18-26-21-9-11-22(12-10-21)27-15-5-2-6-16-27/h1,3-4,7-12,18,26H,2,5-6,13-16H2,(H,25,28)/b20-18-.
What are the key properties of (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide has a molecular weight of 374.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide is sourced from PubChem (CID 108835242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).