2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide

C20H33N5O3 — CID 42454249

IUPAC2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCCO2)CC1
InChIInChI=1S/C20H33N5O3/c1-20(2,3)19(27)22-17-6-10-21-25(17)16-7-12-23(13-8-16)18(26)9-14-24-11-4-5-15-28-24/h6,10,16H,4-5,7-9,11-15H2,1-3H3,(H,22,27)
InChIKeyLIBYIAGEZQLYLR-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.45
Rot. Bonds5

About 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 42454249) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID42454249
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCCO2)CC1
InChIInChI=1S/C20H33N5O3/c1-20(2,3)19(27)22-17-6-10-21-25(17)16-7-12-23(13-8-16)18(26)9-14-24-11-4-5-15-28-24/h6,10,16H,4-5,7-9,11-15H2,1-3H3,(H,22,27)
InChIKeyLIBYIAGEZQLYLR-UHFFFAOYSA-N
XLogP2.45
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide (CID 42454249) is 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCCO2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is LIBYIAGEZQLYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-20(2,3)19(27)22-17-6-10-21-25(17)16-7-12-23(13-8-16)18(26)9-14-24-11-4-5-15-28-24/h6,10,16H,4-5,7-9,11-15H2,1-3H3,(H,22,27).
What are the key properties of 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 42454249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).