(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone

C25H30N4O2 — CID 92584156

IUPAC(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
SMILESCC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)no2)CC1
InChIInChI=1S/C25H30N4O2/c1-18-8-12-29(13-9-18)25(30)24-15-23(27-31-24)21-5-3-11-28(17-21)16-19-6-7-22-20(14-19)4-2-10-26-22/h2,4,6-7,10,14-15,18,21H,3,5,8-9,11-13,16-17H2,1H3/t21-/m0/s1
InChIKeyYXGUVGBUQVCGFZ-NRFANRHFSA-N
MW418.54 g/mol
LogP4.47
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone

(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone (PubChem CID 92584156) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
PubChem CID92584156
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
SMILESCC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)no2)CC1
InChIInChI=1S/C25H30N4O2/c1-18-8-12-29(13-9-18)25(30)24-15-23(27-31-24)21-5-3-11-28(17-21)16-19-6-7-22-20(14-19)4-2-10-26-22/h2,4,6-7,10,14-15,18,21H,3,5,8-9,11-13,16-17H2,1H3/t21-/m0/s1
InChIKeyYXGUVGBUQVCGFZ-NRFANRHFSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228887
pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92572169
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
[3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 92584153
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92568123
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 119075050

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone (CID 92584156) is (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone is CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)no2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
The InChIKey is YXGUVGBUQVCGFZ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-8-12-29(13-9-18)25(30)24-15-23(27-31-24)21-5-3-11-28(17-21)16-19-6-7-22-20(14-19)4-2-10-26-22/h2,4,6-7,10,14-15,18,21H,3,5,8-9,11-13,16-17H2,1H3/t21-/m0/s1.
What are the key properties of (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?
(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone has a molecular weight of 418.54 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 92584156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).