[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone

C16H22N4O — CID 174180783

IUPAC[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone
SMILES[H]/N=C/C=N\Nc1ccccc1C(=O)N1CCCCCC1C
InChIInChI=1S/C16H22N4O/c1-13-7-3-2-6-12-20(13)16(21)14-8-4-5-9-15(14)19-18-11-10-17/h4-5,8-11,13,17,19H,2-3,6-7,12H2,1H3/b17-10+,18-11-
InChIKeyFOPPIQYJMBKHOD-VJTUXUFQSA-N
MW286.38 g/mol
LogP3.14
Rot. Bonds4

About [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone

[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone (PubChem CID 174180783) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone
PubChem CID174180783
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone
SMILES[H]/N=C/C=N\Nc1ccccc1C(=O)N1CCCCCC1C
InChIInChI=1S/C16H22N4O/c1-13-7-3-2-6-12-20(13)16(21)14-8-4-5-9-15(14)19-18-11-10-17/h4-5,8-11,13,17,19H,2-3,6-7,12H2,1H3/b17-10+,18-11-
InChIKeyFOPPIQYJMBKHOD-VJTUXUFQSA-N
XLogP3.14
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-N'-hydroxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-6-methylpiperidine-3-carboximidamide
CID 172934560
S-[(3R,6R)-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-6-methylpiperidin-3-yl] ethanethioate
CID 172933001
cyclobutyl-[2-[(6R)-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-6-methylpiperidin-3-yl]-5-methyl-2,3-dihydro-1,3-thiazol-4-yl]methanone;ethane
CID 144789327
(3R)-N'-cyclopropyloxy-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]piperidine-3-carboximidamide
CID 145074205
methyl 2-[(6R)-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-6-methylpiperidin-3-yl]oxy-6-methoxybenzoate
CID 144862174
2-[4-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoyl]-5-methyl-1,4-diazepan-1-yl]-5-methyl-3H-quinazolin-4-one
CID 137137580
(6R)-1-[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-5-methylbenzoyl]-6-methylpiperidine-3-carboxylic acid
CID 89369782
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-[(3R)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 134503503
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270

Frequently Asked Questions

What is the IUPAC name of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone?
The IUPAC name of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone (CID 174180783) is [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone?
The canonical SMILES for [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone is [H]/N=C/C=N\Nc1ccccc1C(=O)N1CCCCCC1C.
What is the InChIKey of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone?
The InChIKey is FOPPIQYJMBKHOD-VJTUXUFQSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-7-3-2-6-12-20(13)16(21)14-8-4-5-9-15(14)19-18-11-10-17/h4-5,8-11,13,17,19H,2-3,6-7,12H2,1H3/b17-10+,18-11-.
What are the key properties of [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone?
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 174180783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).