1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide

C16H25N5O3 — CID 108863165

IUPAC1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESN#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N5O3/c17-11-14(12-21-4-1-13(2-5-21)15(18)22)16(23)19-3-6-20-7-9-24-10-8-20/h12-13H,1-10H2,(H2,18,22)(H,19,23)/b14-12-
InChIKeyQRQLXDSTWCCOFL-OWBHPGMISA-N
MW335.41 g/mol
LogP-0.96
Rot. Bonds6

About 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide

1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide (PubChem CID 108863165) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
PubChem CID108863165
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESN#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N5O3/c17-11-14(12-21-4-1-13(2-5-21)15(18)22)16(23)19-3-6-20-7-9-24-10-8-20/h12-13H,1-10H2,(H2,18,22)(H,19,23)/b14-12-
InChIKeyQRQLXDSTWCCOFL-OWBHPGMISA-N
XLogP-0.96
TPSA111.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862927
1-[(Z)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]piperidine-4-carboxamide
CID 108820431
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 98429495
(Z)-2-cyano-3-(4-methylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863245
1-[(Z)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]piperidine-4-carboxamide
CID 47086138
(Z)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863075
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765
(Z)-2-cyano-3-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863182
(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 146025171
ethyl 1-[(Z)-3-(2-chloroethylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylate
CID 108854395
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108833594

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide (CID 108863165) is 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide is N#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The InChIKey is QRQLXDSTWCCOFL-OWBHPGMISA-N. The full InChI is InChI=1S/C16H25N5O3/c17-11-14(12-21-4-1-13(2-5-21)15(18)22)16(23)19-3-6-20-7-9-24-10-8-20/h12-13H,1-10H2,(H2,18,22)(H,19,23)/b14-12-.
What are the key properties of 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 108863165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).