(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

C26H30N4O2 — CID 45243447

IUPAC(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c2ccccc2n1
InChIInChI=1S/C26H30N4O2/c1-32-25-18-23(22-11-5-6-12-24(22)27-25)26(31)30-13-7-10-21(19-30)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h2-6,8-9,11-12,18,21H,7,10,13-17,19H2,1H3
InChIKeyIYMSHHGPROEBOX-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.67
Rot. Bonds4

About (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 45243447) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID45243447
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c2ccccc2n1
InChIInChI=1S/C26H30N4O2/c1-32-25-18-23(22-11-5-6-12-24(22)27-25)26(31)30-13-7-10-21(19-30)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h2-6,8-9,11-12,18,21H,7,10,13-17,19H2,1H3
InChIKeyIYMSHHGPROEBOX-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

Analyze (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 42522862
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
(2-chlorophenyl)-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42094356
methyl 3-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]benzoate
CID 74229736
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134701449
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545

Frequently Asked Questions

What is the IUPAC name of (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone (CID 45243447) is (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c2ccccc2n1.
What is the InChIKey of (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is IYMSHHGPROEBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-32-25-18-23(22-11-5-6-12-24(22)27-25)26(31)30-13-7-10-21(19-30)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h2-6,8-9,11-12,18,21H,7,10,13-17,19H2,1H3.
What are the key properties of (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone?
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone 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 (2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 45243447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).