[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone

C28H27N3O2 — CID 124968000

IUPAC[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCOc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1
InChIInChI=1S/C28H27N3O2/c1-19-15-24(20-7-10-25(33-2)11-8-20)17-27(30-19)23-6-4-14-31(18-23)28(32)22-9-12-26-21(16-22)5-3-13-29-26/h3,5,7-13,15-17,23H,4,6,14,18H2,1-2H3/t23-/m0/s1
InChIKeyIXNUAYVRXCNFHK-QHCPKHFHSA-N
MW437.54 g/mol
LogP5.63
Rot. Bonds4

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

[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 124968000) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID124968000
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCOc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1
InChIInChI=1S/C28H27N3O2/c1-19-15-24(20-7-10-25(33-2)11-8-20)17-27(30-19)23-6-4-14-31(18-23)28(32)22-9-12-26-21(16-22)5-3-13-29-26/h3,5,7-13,15-17,23H,4,6,14,18H2,1-2H3/t23-/m0/s1
InChIKeyIXNUAYVRXCNFHK-QHCPKHFHSA-N
XLogP5.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone with MolForge

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Related Compounds

isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone (CID 124968000) is [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone is COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1.
What is the InChIKey of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is IXNUAYVRXCNFHK-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-19-15-24(20-7-10-25(33-2)11-8-20)17-27(30-19)23-6-4-14-31(18-23)28(32)22-9-12-26-21(16-22)5-3-13-29-26/h3,5,7-13,15-17,23H,4,6,14,18H2,1-2H3/t23-/m0/s1.
What are the key properties of [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone?
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 437.54 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 124968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).