(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide

C19H29FN2O4 — CID 52945702

IUPAC(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide
SMILESCO[C@H](C[C@H](CCN1CCCC(CO)C1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O4/c1-26-18(15-4-6-17(20)7-5-15)11-16(19(24)21-25)8-10-22-9-2-3-14(12-22)13-23/h4-7,14,16,18,23,25H,2-3,8-13H2,1H3,(H,21,24)/t14?,16-,18+/m0/s1
InChIKeyNGWBJDOGQSUINS-RNYWFIABSA-N
MW368.45 g/mol
LogP2.12
Rot. Bonds9

About (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide

(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide (PubChem CID 52945702) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide
PubChem CID52945702
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide
SMILESCO[C@H](C[C@H](CCN1CCCC(CO)C1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O4/c1-26-18(15-4-6-17(20)7-5-15)11-16(19(24)21-25)8-10-22-9-2-3-14(12-22)13-23/h4-7,14,16,18,23,25H,2-3,8-13H2,1H3,(H,21,24)/t14?,16-,18+/m0/s1
InChIKeyNGWBJDOGQSUINS-RNYWFIABSA-N
XLogP2.12
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide?
The IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide (CID 52945702) is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide is CO[C@H](C[C@H](CCN1CCCC(CO)C1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide?
The InChIKey is NGWBJDOGQSUINS-RNYWFIABSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-26-18(15-4-6-17(20)7-5-15)11-16(19(24)21-25)8-10-22-9-2-3-14(12-22)13-23/h4-7,14,16,18,23,25H,2-3,8-13H2,1H3,(H,21,24)/t14?,16-,18+/m0/s1.
What are the key properties of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide?
(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide has a molecular weight of 368.45 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methoxybutanamide is sourced from PubChem (CID 52945702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).