1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone

C22H29N5O3 — CID 46980907

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1
InChIInChI=1S/C22H29N5O3/c1-29-20-5-3-2-4-19(20)26-12-14-27(15-13-26)22(28)17-25-10-6-18(7-11-25)30-21-16-23-8-9-24-21/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3
InChIKeyDPKICWBTQUKKLH-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.68
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 46980907) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
PubChem CID46980907
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1
InChIInChI=1S/C22H29N5O3/c1-29-20-5-3-2-4-19(20)26-12-14-27(15-13-26)22(28)17-25-10-6-18(7-11-25)30-21-16-23-8-9-24-21/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3
InChIKeyDPKICWBTQUKKLH-UHFFFAOYSA-N
XLogP1.68
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
2-[1-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]oxypyrazine
CID 46980830
2-[1-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]oxypyrazine;hydrobromide
CID 171667785
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17428471
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
3-chloro-1-(4-pyrazin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558978
1-[4-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 118716867
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone (CID 46980907) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone is COc1ccccc1N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is DPKICWBTQUKKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-29-20-5-3-2-4-19(20)26-12-14-27(15-13-26)22(28)17-25-10-6-18(7-11-25)30-21-16-23-8-9-24-21/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 411.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 46980907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).