[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone

C26H30N4O2 — CID 126460820

IUPAC[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)CC1
InChIInChI=1S/C26H30N4O2/c1-32-25-9-3-2-8-24(25)29-16-14-28(15-17-29)22-7-5-13-30(19-22)26(31)21-10-11-23-20(18-21)6-4-12-27-23/h2-4,6,8-12,18,22H,5,7,13-17,19H2,1H3
InChIKeyKMFFVIVBISAZRY-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.67
Rot. Bonds4

About [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone

[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 126460820) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID126460820
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)CC1
InChIInChI=1S/C26H30N4O2/c1-32-25-9-3-2-8-24(25)29-16-14-28(15-17-29)22-7-5-13-30(19-22)26(31)21-10-11-23-20(18-21)6-4-12-27-23/h2-4,6,8-12,18,22H,5,7,13-17,19H2,1H3
InChIKeyKMFFVIVBISAZRY-UHFFFAOYSA-N
XLogP3.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone (CID 126460820) is [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone is COc1ccccc1N1CCN(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)CC1.
What is the InChIKey of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is KMFFVIVBISAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-32-25-9-3-2-8-24(25)29-16-14-28(15-17-29)22-7-5-13-30(19-22)26(31)21-10-11-23-20(18-21)6-4-12-27-23/h2-4,6,8-12,18,22H,5,7,13-17,19H2,1H3.
What are the key properties of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone?
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 430.55 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 126460820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).