N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide

C17H25N3O — CID 7812433

IUPACN-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\N2[C@@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C17H25N3O/c1-12-7-5-8-13(2)20(12)19-14(3)16-9-6-10-17(11-16)18-15(4)21/h6,9-13H,5,7-8H2,1-4H3,(H,18,21)/b19-14-/t12-,13-/m0/s1
InChIKeyICYXFEOBYMYULC-WCBKCDEZSA-N
MW287.41 g/mol
LogP3.63
Rot. Bonds3

About N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide

N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide (PubChem CID 7812433) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide
PubChem CID7812433
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\N2[C@@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C17H25N3O/c1-12-7-5-8-13(2)20(12)19-14(3)16-9-6-10-17(11-16)18-15(4)21/h6,9-13H,5,7-8H2,1-4H3,(H,18,21)/b19-14-/t12-,13-/m0/s1
InChIKeyICYXFEOBYMYULC-WCBKCDEZSA-N
XLogP3.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 71941783
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
3-acetamido-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide
CID 6598954
3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920330
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
(Z)-N-(3-acetylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108856777
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide (CID 7812433) is N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide is CC(=O)Nc1cccc(/C(C)=N\N2[C@@H](C)CCC[C@@H]2C)c1.
What is the InChIKey of N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide?
The InChIKey is ICYXFEOBYMYULC-WCBKCDEZSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-7-5-8-13(2)20(12)19-14(3)16-9-6-10-17(11-16)18-15(4)21/h6,9-13H,5,7-8H2,1-4H3,(H,18,21)/b19-14-/t12-,13-/m0/s1.
What are the key properties of N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide?
N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 7812433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).