1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one

C21H29N3O2 — CID 16747088

IUPAC1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one
SMILESCC(C)c1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cn1
InChIInChI=1S/C21H29N3O2/c1-16(2)19-7-6-18(14-23-19)15-24-11-8-17(9-12-24)4-3-5-20(25)21-22-10-13-26-21/h6-7,10,13-14,16-17H,3-5,8-9,11-12,15H2,1-2H3
InChIKeyKMPGFWPRGULMID-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.46
Rot. Bonds8

About 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one

1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one (PubChem CID 16747088) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one
PubChem CID16747088
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one
SMILESCC(C)c1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cn1
InChIInChI=1S/C21H29N3O2/c1-16(2)19-7-6-18(14-23-19)15-24-11-8-17(9-12-24)4-3-5-20(25)21-22-10-13-26-21/h6-7,10,13-14,16-17H,3-5,8-9,11-12,15H2,1-2H3
InChIKeyKMPGFWPRGULMID-UHFFFAOYSA-N
XLogP4.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one?
The IUPAC name of 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one (CID 16747088) is 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one?
The canonical SMILES for 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one is CC(C)c1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cn1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one?
The InChIKey is KMPGFWPRGULMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(2)19-7-6-18(14-23-19)15-24-11-8-17(9-12-24)4-3-5-20(25)21-22-10-13-26-21/h6-7,10,13-14,16-17H,3-5,8-9,11-12,15H2,1-2H3.
What are the key properties of 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one?
1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one has a molecular weight of 355.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)-4-[1-[(6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]butan-1-one is sourced from PubChem (CID 16747088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).