[(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate

C19H31N3O3 — CID 83279404

IUPAC[(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)N1CCC(n2nc(C(C)C)cc2C(C)C)CC1
InChIInChI=1S/C19H31N3O3/c1-12(2)17-11-18(13(3)4)22(20-17)16-7-9-21(10-8-16)19(24)14(5)25-15(6)23/h11-14,16H,7-10H2,1-6H3/t14-/m0/s1
InChIKeyNOOUUVDHHNHUSB-AWEZNQCLSA-N
MW349.48 g/mol
LogP3.24
Rot. Bonds5

About [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate

[(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate (PubChem CID 83279404) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate
PubChem CID83279404
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name[(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)N1CCC(n2nc(C(C)C)cc2C(C)C)CC1
InChIInChI=1S/C19H31N3O3/c1-12(2)17-11-18(13(3)4)22(20-17)16-7-9-21(10-8-16)19(24)14(5)25-15(6)23/h11-14,16H,7-10H2,1-6H3/t14-/m0/s1
InChIKeyNOOUUVDHHNHUSB-AWEZNQCLSA-N
XLogP3.24
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate?
The IUPAC name of [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate (CID 83279404) is [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate is CC(=O)O[C@@H](C)C(=O)N1CCC(n2nc(C(C)C)cc2C(C)C)CC1.
What is the InChIKey of [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate?
The InChIKey is NOOUUVDHHNHUSB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-12(2)17-11-18(13(3)4)22(20-17)16-7-9-21(10-8-16)19(24)14(5)25-15(6)23/h11-14,16H,7-10H2,1-6H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate?
[(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate has a molecular weight of 349.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 83279404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).