(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

C24H32N4O2 — CID 42291359

IUPAC(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCCN1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-26-15-17-28(18-16-26)24(29)22-8-3-4-9-23(22)30-21-10-13-27(14-11-21)19-20-7-5-6-12-25-20/h3-9,12,21H,2,10-11,13-19H2,1H3
InChIKeyLBIYYCNYQVNJRK-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.90
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 42291359) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID42291359
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCCN1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-26-15-17-28(18-16-26)24(29)22-8-3-4-9-23(22)30-21-10-13-27(14-11-21)19-20-7-5-6-12-25-20/h3-9,12,21H,2,10-11,13-19H2,1H3
InChIKeyLBIYYCNYQVNJRK-UHFFFAOYSA-N
XLogP2.90
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone with MolForge

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42240600
N-[(2-methylphenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42567850
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25274515
piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 26395074
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42291142
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447549
[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 72929961
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
(5-amino-2-methylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 120647849

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (CID 42291359) is (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is CCN1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is LBIYYCNYQVNJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-26-15-17-28(18-16-26)24(29)22-8-3-4-9-23(22)30-21-10-13-27(14-11-21)19-20-7-5-6-12-25-20/h3-9,12,21H,2,10-11,13-19H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 408.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 42291359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).