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

C21H29N5O2 — CID 108863096

IUPAC(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H29N5O2/c22-16-18(21(27)23-8-11-25-12-14-28-15-13-25)17-24-19-4-6-20(7-5-19)26-9-2-1-3-10-26/h4-7,17,24H,1-3,8-15H2,(H,23,27)/b18-17-
InChIKeyFWAXDQHTCPBKAS-ZCXUNETKSA-N
MW383.50 g/mol
LogP1.94
Rot. Bonds7

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

(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide (PubChem CID 108863096) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
PubChem CID108863096
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C21H29N5O2/c22-16-18(21(27)23-8-11-25-12-14-28-15-13-25)17-24-19-4-6-20(7-5-19)26-9-2-1-3-10-26/h4-7,17,24H,1-3,8-15H2,(H,23,27)/b18-17-
InChIKeyFWAXDQHTCPBKAS-ZCXUNETKSA-N
XLogP1.94
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835242
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882
(Z)-N-butyl-2-cyano-3-[4-(4-methylpiperazin-1-yl)anilino]prop-2-enamide
CID 108833760
(Z)-2-cyano-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863157
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862997
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863161
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108836354
(Z)-2-cyano-N-cyclopentyl-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835608
4-[[(Z)-2-cyano-3-(4-piperidin-1-ylanilino)prop-2-enoyl]amino]benzoic acid
CID 108823346
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109016647

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide (CID 108863096) is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
The InChIKey is FWAXDQHTCPBKAS-ZCXUNETKSA-N. The full InChI is InChI=1S/C21H29N5O2/c22-16-18(21(27)23-8-11-25-12-14-28-15-13-25)17-24-19-4-6-20(7-5-19)26-9-2-1-3-10-26/h4-7,17,24H,1-3,8-15H2,(H,23,27)/b18-17-.
What are the key properties of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide has a molecular weight of 383.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide is sourced from PubChem (CID 108863096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).