4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide

C18H26ClN3O3 — CID 87748465

IUPAC4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESNC(Cc1cccc(Cl)c1)C(=O)N1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C18H26ClN3O3/c19-15-5-1-4-14(11-15)12-16(20)18(24)22-9-7-13(8-10-22)3-2-6-17(23)21-25/h1,4-5,11,13,16,25H,2-3,6-10,12,20H2,(H,21,23)
InChIKeyFPMRUALJXHGQCZ-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.12
Rot. Bonds7

About 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide

4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide (PubChem CID 87748465) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
PubChem CID87748465
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide
SMILESNC(Cc1cccc(Cl)c1)C(=O)N1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C18H26ClN3O3/c19-15-5-1-4-14(11-15)12-16(20)18(24)22-9-7-13(8-10-22)3-2-6-17(23)21-25/h1,4-5,11,13,16,25H,2-3,6-10,12,20H2,(H,21,23)
InChIKeyFPMRUALJXHGQCZ-UHFFFAOYSA-N
XLogP2.12
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide (CID 87748465) is 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide is NC(Cc1cccc(Cl)c1)C(=O)N1CCC(CCCC(=O)NO)CC1.
What is the InChIKey of 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
The InChIKey is FPMRUALJXHGQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c19-15-5-1-4-14(11-15)12-16(20)18(24)22-9-7-13(8-10-22)3-2-6-17(23)21-25/h1,4-5,11,13,16,25H,2-3,6-10,12,20H2,(H,21,23).
What are the key properties of 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide?
4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide has a molecular weight of 367.88 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-amino-3-(3-chlorophenyl)propanoyl]piperidin-4-yl]-N-hydroxybutanamide is sourced from PubChem (CID 87748465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).