[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone

C25H28N2O2 — CID 1223536

IUPAC[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
SMILESCCOc1cccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c1
InChIInChI=1S/C25H28N2O2/c1-4-29-20-9-7-8-19(13-20)24-14-22(21-10-5-6-11-23(21)26-24)25(28)27-15-17(2)12-18(3)16-27/h5-11,13-14,17-18H,4,12,15-16H2,1-3H3/t17-,18-/m0/s1
InChIKeyWXSMPQVNAJHCGM-ROUUACIJSA-N
MW388.51 g/mol
LogP5.42
Rot. Bonds4

About [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone (PubChem CID 1223536) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
PubChem CID1223536
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
SMILESCCOc1cccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c1
InChIInChI=1S/C25H28N2O2/c1-4-29-20-9-7-8-19(13-20)24-14-22(21-10-5-6-11-23(21)26-24)25(28)27-15-17(2)12-18(3)16-27/h5-11,13-14,17-18H,4,12,15-16H2,1-3H3/t17-,18-/m0/s1
InChIKeyWXSMPQVNAJHCGM-ROUUACIJSA-N
XLogP5.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 2887233
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
[2-(3-ethoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4141764
[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
CID 3504538
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone (CID 1223536) is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone is CCOc1cccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone?
The InChIKey is WXSMPQVNAJHCGM-ROUUACIJSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-29-20-9-7-8-19(13-20)24-14-22(21-10-5-6-11-23(21)26-24)25(28)27-15-17(2)12-18(3)16-27/h5-11,13-14,17-18H,4,12,15-16H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone?
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone has a molecular weight of 388.51 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 1223536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).