4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide

C18H26FN3O3 — CID 87749331

IUPAC4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESN[C@@H](CC(=O)N1CCC(CCCC(=O)NO)CC1)c1cccc(F)c1
InChIInChI=1S/C18H26FN3O3/c19-15-5-2-4-14(11-15)16(20)12-18(24)22-9-7-13(8-10-22)3-1-6-17(23)21-25/h2,4-5,11,13,16,25H,1,3,6-10,12,20H2,(H,21,23)/t16-/m0/s1
InChIKeyXKQDDNQXJDHLLT-INIZCTEOSA-N
MW351.42 g/mol
LogP2.13
Rot. Bonds7

About 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide

4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide (PubChem CID 87749331) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
PubChem CID87749331
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESN[C@@H](CC(=O)N1CCC(CCCC(=O)NO)CC1)c1cccc(F)c1
InChIInChI=1S/C18H26FN3O3/c19-15-5-2-4-14(11-15)16(20)12-18(24)22-9-7-13(8-10-22)3-1-6-17(23)21-25/h2,4-5,11,13,16,25H,1,3,6-10,12,20H2,(H,21,23)/t16-/m0/s1
InChIKeyXKQDDNQXJDHLLT-INIZCTEOSA-N
XLogP2.13
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[1-[3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749330
4-[1-[(3S)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749504
4-[1-[(3R)-3-amino-5-phenylpentanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87749494
2-amino-4-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-N-(naphthalen-1-ylmethyl)-4-oxobutanamide
CID 73125115
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
CID 87748465
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
CID 124703729
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10126038
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide (CID 87749331) is 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide is N[C@@H](CC(=O)N1CCC(CCCC(=O)NO)CC1)c1cccc(F)c1.
What is the InChIKey of 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The InChIKey is XKQDDNQXJDHLLT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN3O3/c19-15-5-2-4-14(11-15)16(20)12-18(24)22-9-7-13(8-10-22)3-1-6-17(23)21-25/h2,4-5,11,13,16,25H,1,3,6-10,12,20H2,(H,21,23)/t16-/m0/s1.
What are the key properties of 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide has a molecular weight of 351.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3S)-3-amino-3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87749331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).