[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone

C23H32N4O2 — CID 110135509

IUPAC[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
SMILESCc1noc(C)c1-c1cc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)ccn1
InChIInChI=1S/C23H32N4O2/c1-16-21(17(2)29-25-16)20-15-19(5-10-24-20)18-6-11-27(12-7-18)22(28)23(3)8-13-26(4)14-9-23/h5,10,15,18H,6-9,11-14H2,1-4H3
InChIKeyICKWUXIQTSSDIS-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.79
Rot. Bonds3

About [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone

[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone (PubChem CID 110135509) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
PubChem CID110135509
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
SMILESCc1noc(C)c1-c1cc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)ccn1
InChIInChI=1S/C23H32N4O2/c1-16-21(17(2)29-25-16)20-15-19(5-10-24-20)18-6-11-27(12-7-18)22(28)23(3)8-13-26(4)14-9-23/h5,10,15,18H,6-9,11-14H2,1-4H3
InChIKeyICKWUXIQTSSDIS-UHFFFAOYSA-N
XLogP3.79
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110129109
4-[4-[1-(benzenesulfonyl)piperidin-4-yl]-2-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 110129098
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
CID 124986505
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819
[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 155983856
[4-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]phenyl]methanol
CID 95825449
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110129273
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124989034
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110129332
1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110101824
5-cyclopropyl-3-methyl-4-(4-methyl-2-pyridinyl)-1,2-oxazole
CID 142624823

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone?
The IUPAC name of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone (CID 110135509) is [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone is Cc1noc(C)c1-c1cc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)ccn1.
What is the InChIKey of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone?
The InChIKey is ICKWUXIQTSSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-21(17(2)29-25-16)20-15-19(5-10-24-20)18-6-11-27(12-7-18)22(28)23(3)8-13-26(4)14-9-23/h5,10,15,18H,6-9,11-14H2,1-4H3.
What are the key properties of [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone?
[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone has a molecular weight of 396.54 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]piperidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone is sourced from PubChem (CID 110135509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).