N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide

C16H31FN2O2 — CID 154671336

IUPACN-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCCCOC(C)C)CC1F
InChIInChI=1S/C16H31FN2O2/c1-4-16(20)18-15-8-10-19(12-14(15)17)9-6-5-7-11-21-13(2)3/h13-15H,4-12H2,1-3H3,(H,18,20)
InChIKeyIGEXXVFHYJWKOU-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.52
Rot. Bonds9

About N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide

N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide (PubChem CID 154671336) has the molecular formula C16H31FN2O2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide
PubChem CID154671336
Molecular FormulaC16H31FN2O2
Molecular Weight302.43 g/mol
Exact Mass302.24
IUPAC NameN-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCCCCOC(C)C)CC1F
InChIInChI=1S/C16H31FN2O2/c1-4-16(20)18-15-8-10-19(12-14(15)17)9-6-5-7-11-21-13(2)3/h13-15H,4-12H2,1-3H3,(H,18,20)
InChIKeyIGEXXVFHYJWKOU-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide (CID 154671336) is N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(CCCCCOC(C)C)CC1F.
What is the InChIKey of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide?
The InChIKey is IGEXXVFHYJWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O2/c1-4-16(20)18-15-8-10-19(12-14(15)17)9-6-5-7-11-21-13(2)3/h13-15H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide?
N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide has a molecular weight of 302.43 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 154671336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).