[3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C24H32N4O3 — CID 53168400

IUPAC[3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C24H32N4O3/c1-17-21(24(30)27-12-5-4-6-13-27)25-22(31-17)18-10-14-28(15-11-18)23(29)19-8-7-9-20(16-19)26(2)3/h7-9,16,18H,4-6,10-15H2,1-3H3
InChIKeyFPHXZDWQCJCYTP-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.69
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 53168400) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID53168400
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name[3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C24H32N4O3/c1-17-21(24(30)27-12-5-4-6-13-27)25-22(31-17)18-10-14-28(15-11-18)23(29)19-8-7-9-20(16-19)26(2)3/h7-9,16,18H,4-6,10-15H2,1-3H3
InChIKeyFPHXZDWQCJCYTP-UHFFFAOYSA-N
XLogP3.69
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-(3-Fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837574
2-{1-[(3-fluoro-2-methylanilino)carbonyl]-4-piperidyl}-N~4~,N~4~,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837610
4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 71837795
2-(3-Fluorophenyl)-1-{4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}ethan-1-one
CID 53168367
{2-[1-(2-Fluorobenzoyl)-4-piperidyl]-5-methyl-1,3-oxazol-4-yl}(1-pyrrolidinyl)methanone
CID 53168370
1-[(2-Fluorophenyl)acetyl]-4-[5-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine
CID 53168377
4-[5-Methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]-1-[3-(trifluoromethyl)benzoyl]piperidine
CID 53168384
2-(3-Fluorophenyl)-1-{4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}ethan-1-one
CID 53168396
4-[5-Methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 53168398
4-[5-Methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]-1-[3-(trifluoromethyl)benzoyl]piperidine
CID 53168404
2-(3-Fluorophenyl)-1-{4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidin-1-YL}ethan-1-one
CID 53168414
4-{2-[1-(2-Chloro-5-fluorobenzoyl)piperidin-4-YL]-5-methyl-1,3-oxazole-4-carbonyl}morpholine
CID 53168417

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 53168400) is [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1oc(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is FPHXZDWQCJCYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17-21(24(30)27-12-5-4-6-13-27)25-22(31-17)18-10-14-28(15-11-18)23(29)19-8-7-9-20(16-19)26(2)3/h7-9,16,18H,4-6,10-15H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 424.55 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53168400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).