2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile

C20H28N4O2 — CID 74250243

IUPAC2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
SMILESCOCCN1CCCC(C(=O)N2CCN(c3ccccc3C#N)CC2)C1
InChIInChI=1S/C20H28N4O2/c1-26-14-13-22-8-4-6-18(16-22)20(25)24-11-9-23(10-12-24)19-7-3-2-5-17(19)15-21/h2-3,5,7,18H,4,6,8-14,16H2,1H3
InChIKeyQFIIOTUAZZZACO-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile

2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile (PubChem CID 74250243) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
PubChem CID74250243
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
SMILESCOCCN1CCCC(C(=O)N2CCN(c3ccccc3C#N)CC2)C1
InChIInChI=1S/C20H28N4O2/c1-26-14-13-22-8-4-6-18(16-22)20(25)24-11-9-23(10-12-24)19-7-3-2-5-17(19)15-21/h2-3,5,7,18H,4,6,8-14,16H2,1H3
InChIKeyQFIIOTUAZZZACO-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-hydroxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 74236257
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 78920451
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162638166
2-[4-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114980
2-[[4-(1-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137334393
(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 126423113
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
2-[4-(1-methylpiperidine-2-carbonyl)piperazin-1-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 163340375
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124785355
[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile (CID 74250243) is 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile is COCCN1CCCC(C(=O)N2CCN(c3ccccc3C#N)CC2)C1.
What is the InChIKey of 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
The InChIKey is QFIIOTUAZZZACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-26-14-13-22-8-4-6-18(16-22)20(25)24-11-9-23(10-12-24)19-7-3-2-5-17(19)15-21/h2-3,5,7,18H,4,6,8-14,16H2,1H3.
What are the key properties of 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile?
2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile has a molecular weight of 356.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 74250243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).