(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide

C15H16ClN3O — CID 108860772

IUPAC(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
SMILESN#C/C(=C/N1CCCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c16-13-4-6-14(7-5-13)18-15(20)12(10-17)11-19-8-2-1-3-9-19/h4-7,11H,1-3,8-9H2,(H,18,20)/b12-11-
InChIKeyIAXFTNXPMJIREK-QXMHVHEDSA-N
MW289.77 g/mol
LogP3.17
Rot. Bonds3

About (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide

(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide (PubChem CID 108860772) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
PubChem CID108860772
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
SMILESN#C/C(=C/N1CCCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c16-13-4-6-14(7-5-13)18-15(20)12(10-17)11-19-8-2-1-3-9-19/h4-7,11H,1-3,8-9H2,(H,18,20)/b12-11-
InChIKeyIAXFTNXPMJIREK-QXMHVHEDSA-N
XLogP3.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-benzylpiperidin-1-yl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860707
(E)-3-(4-chlorophenyl)-2-cyano-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 1185360
3-[[(Z)-3-(azepan-1-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108816202
(Z)-3-(azepan-1-yl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855253
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-piperazin-1-ylprop-2-enamide
CID 108827245
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-formylpiperazin-1-yl)prop-2-enamide
CID 108852001
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108823632
(Z)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827506
(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
CID 108860844
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
CID 108821717
1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide
CID 108820804
(Z)-2-cyano-N-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 98348176

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide (CID 108860772) is (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide is N#C/C(=C/N1CCCCC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide?
The InChIKey is IAXFTNXPMJIREK-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-4-6-14(7-5-13)18-15(20)12(10-17)11-19-8-2-1-3-9-19/h4-7,11H,1-3,8-9H2,(H,18,20)/b12-11-.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide?
(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide has a molecular weight of 289.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 108860772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).