1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

C21H29N5O2 — CID 24817464

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)Cn3cccn3)C2)CC1
InChIInChI=1S/C21H29N5O2/c1-28-20-8-3-2-7-19(20)24-14-12-23(13-15-24)18-6-4-10-25(16-18)21(27)17-26-11-5-9-22-26/h2-3,5,7-9,11,18H,4,6,10,12-17H2,1H3
InChIKeyDCFMFUZUCHDILH-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.70
Rot. Bonds5

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 24817464) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID24817464
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)Cn3cccn3)C2)CC1
InChIInChI=1S/C21H29N5O2/c1-28-20-8-3-2-7-19(20)24-14-12-23(13-15-24)18-6-4-10-25(16-18)21(27)17-26-11-5-9-22-26/h2-3,5,7-9,11,18H,4,6,10,12-17H2,1H3
InChIKeyDCFMFUZUCHDILH-UHFFFAOYSA-N
XLogP1.70
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 24817464) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is COc1ccccc1N1CCN(C2CCCN(C(=O)Cn3cccn3)C2)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is DCFMFUZUCHDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-28-20-8-3-2-7-19(20)24-14-12-23(13-15-24)18-6-4-10-25(16-18)21(27)17-26-11-5-9-22-26/h2-3,5,7-9,11,18H,4,6,10,12-17H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 383.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 24817464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).