1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone

C19H19ClN2O — CID 132544776

IUPAC1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone
SMILESO=C(/C(=N/c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-16-11-9-15(10-12-16)18(23)19(22-13-5-2-6-14-22)21-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2/b21-19-
InChIKeyVGYMQMHHUGIMAX-VZCXRCSSSA-N
MW326.83 g/mol
LogP4.74
Rot. Bonds3

About 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone

1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone (PubChem CID 132544776) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone
PubChem CID132544776
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone
SMILESO=C(/C(=N/c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-16-11-9-15(10-12-16)18(23)19(22-13-5-2-6-14-22)21-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2/b21-19-
InChIKeyVGYMQMHHUGIMAX-VZCXRCSSSA-N
XLogP4.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate
CID 9457367
N-(4-chlorophenyl)-N-methyl-N'-phenylpyrrolidine-1-carboximidamide
CID 70533461
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
(4-chlorophenyl)-piperidin-1-ylmethanethione
CID 617434
N-(4-chlorobenzoyl)pyrrolidine-1-carboximidoyl chloride
CID 12618866
N-[(Z)-1-chloro-1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 56676967
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
2-oxopropyl N-phenylazepane-1-carboximidothioate
CID 9458490
4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide
CID 67613976
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481
[2-(5-chloro-2-methylanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate
CID 9423812
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone (CID 132544776) is 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone is O=C(/C(=N/c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone?
The InChIKey is VGYMQMHHUGIMAX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-16-11-9-15(10-12-16)18(23)19(22-13-5-2-6-14-22)21-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2/b21-19-.
What are the key properties of 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone?
1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone has a molecular weight of 326.83 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-phenylimino-2-piperidin-1-ylethanone is sourced from PubChem (CID 132544776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).