2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

C16H31FN2O2 — CID 175628336

IUPAC2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(F)CCOC(C)C)CC1
InChIInChI=1S/C16H31FN2O2/c1-12(2)18-16(20)11-19-8-5-14(6-9-19)15(17)7-10-21-13(3)4/h12-15H,5-11H2,1-4H3,(H,18,20)
InChIKeyMEUDAUHMKAWJER-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.38
Rot. Bonds8

About 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 175628336) has the molecular formula C16H31FN2O2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID175628336
Molecular FormulaC16H31FN2O2
Molecular Weight302.43 g/mol
Exact Mass302.24
IUPAC Name2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(F)CCOC(C)C)CC1
InChIInChI=1S/C16H31FN2O2/c1-12(2)18-16(20)11-19-8-5-14(6-9-19)15(17)7-10-21-13(3)4/h12-15H,5-11H2,1-4H3,(H,18,20)
InChIKeyMEUDAUHMKAWJER-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 175628336) is 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(C(F)CCOC(C)C)CC1.
What is the InChIKey of 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MEUDAUHMKAWJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O2/c1-12(2)18-16(20)11-19-8-5-14(6-9-19)15(17)7-10-21-13(3)4/h12-15H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 302.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 175628336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).