(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide

C16H20N4O — CID 108818082

IUPAC(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESCC1CCCN(/C=C(/C#N)C(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C16H20N4O/c1-12-3-2-8-20(10-12)11-13(9-17)16(21)19-15-6-4-14(18)5-7-15/h4-7,11-12H,2-3,8,10,18H2,1H3,(H,19,21)/b13-11-
InChIKeyDNUMWZSJHJLIRW-QBFSEMIESA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds3

About (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide

(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 108818082) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
PubChem CID108818082
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESCC1CCCN(/C=C(/C#N)C(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C16H20N4O/c1-12-3-2-8-20(10-12)11-13(9-17)16(21)19-15-6-4-14(18)5-7-15/h4-7,11-12H,2-3,8,10,18H2,1H3,(H,19,21)/b13-11-
InChIKeyDNUMWZSJHJLIRW-QBFSEMIESA-N
XLogP2.35
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

4-[[(Z)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enoyl]amino]benzoic acid
CID 108823303
(Z)-N-(4-butylphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108828149
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 98394768
N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 7463196
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108827776
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108853010
ethyl 1-[(Z)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]piperidine-3-carboxylate
CID 108856378
(Z)-2-cyano-N-(2-methoxy-4-nitrophenyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108852658
1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide
CID 108820804
ethyl 1-[(Z)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]piperidine-3-carboxylate
CID 108841883
(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108860772
(Z)-2-cyano-N-(2-methoxyethyl)-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108833346

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide (CID 108818082) is (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide is CC1CCCN(/C=C(/C#N)C(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is DNUMWZSJHJLIRW-QBFSEMIESA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-3-2-8-20(10-12)11-13(9-17)16(21)19-15-6-4-14(18)5-7-15/h4-7,11-12H,2-3,8,10,18H2,1H3,(H,19,21)/b13-11-.
What are the key properties of (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide?
(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108818082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).