(4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide

C26H30F2N4O4 — CID 10163959

IUPAC(4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCNC(=O)N3C(=O)OC[C@@H]3c3cc(F)cc(F)c3)CC2)c1
InChIInChI=1S/C26H30F2N4O4/c1-17(33)30-23-5-2-4-19(14-23)18-6-10-31(11-7-18)9-3-8-29-25(34)32-24(16-36-26(32)35)20-12-21(27)15-22(28)13-20/h2,4-5,12-15,18,24H,3,6-11,16H2,1H3,(H,29,34)(H,30,33)/t24-/m1/s1
InChIKeyBGOBOXMXDBCWRW-XMMPIXPASA-N
MW500.55 g/mol
LogP4.40
Rot. Bonds7

About (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide

(4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 10163959) has the molecular formula C26H30F2N4O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID10163959
Molecular FormulaC26H30F2N4O4
Molecular Weight500.55 g/mol
Exact Mass500.22
IUPAC Name(4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCNC(=O)N3C(=O)OC[C@@H]3c3cc(F)cc(F)c3)CC2)c1
InChIInChI=1S/C26H30F2N4O4/c1-17(33)30-23-5-2-4-19(14-23)18-6-10-31(11-7-18)9-3-8-29-25(34)32-24(16-36-26(32)35)20-12-21(27)15-22(28)13-20/h2,4-5,12-15,18,24H,3,6-11,16H2,1H3,(H,29,34)(H,30,33)/t24-/m1/s1
InChIKeyBGOBOXMXDBCWRW-XMMPIXPASA-N
XLogP4.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 10163959) is (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide is CC(=O)Nc1cccc(C2CCN(CCCNC(=O)N3C(=O)OC[C@@H]3c3cc(F)cc(F)c3)CC2)c1.
What is the InChIKey of (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is BGOBOXMXDBCWRW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30F2N4O4/c1-17(33)30-23-5-2-4-19(14-23)18-6-10-31(11-7-18)9-3-8-29-25(34)32-24(16-36-26(32)35)20-12-21(27)15-22(28)13-20/h2,4-5,12-15,18,24H,3,6-11,16H2,1H3,(H,29,34)(H,30,33)/t24-/m1/s1.
What are the key properties of (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 10163959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).