1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide

C18H23N5O — CID 146229487

IUPAC1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide
SMILESC=Nc1c(N2CC(C)CC(C(=O)NC)C2)ccc(C#N)c1/N=C/C
InChIInChI=1S/C18H23N5O/c1-5-22-16-13(9-19)6-7-15(17(16)20-3)23-10-12(2)8-14(11-23)18(24)21-4/h5-7,12,14H,3,8,10-11H2,1-2,4H3,(H,21,24)/b22-5+
InChIKeyIFNKEUFRGPLKCX-RREIPUBJSA-N
MW325.42 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide

1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide (PubChem CID 146229487) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide
PubChem CID146229487
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide
SMILESC=Nc1c(N2CC(C)CC(C(=O)NC)C2)ccc(C#N)c1/N=C/C
InChIInChI=1S/C18H23N5O/c1-5-22-16-13(9-19)6-7-15(17(16)20-3)23-10-12(2)8-14(11-23)18(24)21-4/h5-7,12,14H,3,8,10-11H2,1-2,4H3,(H,21,24)/b22-5+
InChIKeyIFNKEUFRGPLKCX-RREIPUBJSA-N
XLogP2.82
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)-2,3-bis(methylideneamino)benzonitrile;propane;prop-1-ene
CID 142520311
4-(3-amino-4-methylpyrrolidin-1-yl)-2,3-bis(methylideneamino)benzonitrile
CID 142520358
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 129241249
1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 114901547
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 146513179
N-[1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-5-(trifluoromethyl)piperidin-3-yl]-3-hydroxy-3-methylbutanamide
CID 155183522
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
5-amino-2-(3,5-dimethylpiperidin-1-yl)benzonitrile
CID 61283798
1-(4-bromo-2-cyanophenyl)azetidine-3-carboxylic acid
CID 112694685
(2S)-N-[(3R,5S)-1-[4-(difluoromethyl)-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-5-methylpiperidin-3-yl]-2-hydroxy-3-methylbutanamide
CID 155183449

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide (CID 146229487) is 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide is C=Nc1c(N2CC(C)CC(C(=O)NC)C2)ccc(C#N)c1/N=C/C.
What is the InChIKey of 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide?
The InChIKey is IFNKEUFRGPLKCX-RREIPUBJSA-N. The full InChI is InChI=1S/C18H23N5O/c1-5-22-16-13(9-19)6-7-15(17(16)20-3)23-10-12(2)8-14(11-23)18(24)21-4/h5-7,12,14H,3,8,10-11H2,1-2,4H3,(H,21,24)/b22-5+.
What are the key properties of 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide?
1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-3-(ethylideneamino)-2-(methylideneamino)phenyl]-N,5-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 146229487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).