2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one

C19H32N4O2 — CID 71928580

IUPAC2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C19H32N4O2/c1-4-23-13-17(12-21-23)18-16(7-10-25-18)11-20-15(3)19(24)22-8-5-14(2)6-9-22/h12-16,18,20H,4-11H2,1-3H3
InChIKeyMBCAXOPBYRZCJK-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.22
Rot. Bonds6

About 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one

2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 71928580) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID71928580
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C19H32N4O2/c1-4-23-13-17(12-21-23)18-16(7-10-25-18)11-20-15(3)19(24)22-8-5-14(2)6-9-22/h12-16,18,20H,4-11H2,1-3H3
InChIKeyMBCAXOPBYRZCJK-UHFFFAOYSA-N
XLogP2.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 71928580) is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one is CCn1cc(C2OCCC2CNC(C)C(=O)N2CCC(C)CC2)cn1.
What is the InChIKey of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is MBCAXOPBYRZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-23-13-17(12-21-23)18-16(7-10-25-18)11-20-15(3)19(24)22-8-5-14(2)6-9-22/h12-16,18,20H,4-11H2,1-3H3.
What are the key properties of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 348.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71928580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).