N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide

C28H31FN2O3 — CID 123230994

IUPACN-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide
SMILESO=C(C(F)CC(O)CO)N(c1ccccc1)C1CCN(C2Cc3cccc4cccc2c34)CC1
InChIInChI=1S/C28H31FN2O3/c29-25(17-23(33)18-32)28(34)31(21-9-2-1-3-10-21)22-12-14-30(15-13-22)26-16-20-8-4-6-19-7-5-11-24(26)27(19)20/h1-11,22-23,25-26,32-33H,12-18H2
InChIKeyUGGVSMIRPUXUBS-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.02
Rot. Bonds7

About N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide

N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide (PubChem CID 123230994) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide.

Molecular Properties

Compound NameN-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide
PubChem CID123230994
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC NameN-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide
SMILESO=C(C(F)CC(O)CO)N(c1ccccc1)C1CCN(C2Cc3cccc4cccc2c34)CC1
InChIInChI=1S/C28H31FN2O3/c29-25(17-23(33)18-32)28(34)31(21-9-2-1-3-10-21)22-12-14-30(15-13-22)26-16-20-8-4-6-19-7-5-11-24(26)27(19)20/h1-11,22-23,25-26,32-33H,12-18H2
InChIKeyUGGVSMIRPUXUBS-UHFFFAOYSA-N
XLogP4.02
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide?
The IUPAC name of N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide (CID 123230994) is N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide.
What is the SMILES notation for N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide?
The canonical SMILES for N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide is O=C(C(F)CC(O)CO)N(c1ccccc1)C1CCN(C2Cc3cccc4cccc2c34)CC1.
What is the InChIKey of N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide?
The InChIKey is UGGVSMIRPUXUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3/c29-25(17-23(33)18-32)28(34)31(21-9-2-1-3-10-21)22-12-14-30(15-13-22)26-16-20-8-4-6-19-7-5-11-24(26)27(19)20/h1-11,22-23,25-26,32-33H,12-18H2.
What are the key properties of N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide?
N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide has a molecular weight of 462.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-fluoro-4,5-dihydroxy-N-phenylpentanamide is sourced from PubChem (CID 123230994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).