(E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine

C21H27N5O2S — CID 6877641

IUPAC(E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine
SMILESO=S(=O)(c1cnccc1N1CCN(/N=C/c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C21H27N5O2S/c27-29(28,26-11-5-2-6-12-26)21-18-22-10-9-20(21)24-13-15-25(16-14-24)23-17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2/b23-17+
InChIKeyJUNICJLKXSNGQW-HAVVHWLPSA-N
MW413.55 g/mol
LogP2.41
Rot. Bonds5

About (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine

(E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine (PubChem CID 6877641) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine
PubChem CID6877641
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name(E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine
SMILESO=S(=O)(c1cnccc1N1CCN(/N=C/c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C21H27N5O2S/c27-29(28,26-11-5-2-6-12-26)21-18-22-10-9-20(21)24-13-15-25(16-14-24)23-17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2/b23-17+
InChIKeyJUNICJLKXSNGQW-HAVVHWLPSA-N
XLogP2.41
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
1-({2-Nitrobenzylidene}amino)-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 6877635
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
N-{4-[2-(4-[4-pyridinyl]-1-piperazinyl)ethyl]phenyl}methanesulphonamide
CID 21274454
N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide
CID 118526824
3-[8-(4-Methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]benzenesulfonamide
CID 145961154
Piperazine moiety, 3
CID 57339811
1-Isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 325375
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine (CID 6877641) is (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine is O=S(=O)(c1cnccc1N1CCN(/N=C/c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine?
The InChIKey is JUNICJLKXSNGQW-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H27N5O2S/c27-29(28,26-11-5-2-6-12-26)21-18-22-10-9-20(21)24-13-15-25(16-14-24)23-17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2/b23-17+.
What are the key properties of (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine?
(E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine has a molecular weight of 413.55 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6877641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).