N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide

C20H32N4O3 — CID 162697665

IUPACN-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
SMILESCC(C)c1ccc(N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cn1
InChIInChI=1S/C20H32N4O3/c1-16(2)18-10-9-17(15-21-18)23-11-13-24(14-12-23)20(26)8-6-4-3-5-7-19(25)22-27/h9-10,15-16,27H,3-8,11-14H2,1-2H3,(H,22,25)
InChIKeyACKCXPWWIOUOGP-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.70
Rot. Bonds9

About N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide

N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide (PubChem CID 162697665) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
PubChem CID162697665
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
SMILESCC(C)c1ccc(N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cn1
InChIInChI=1S/C20H32N4O3/c1-16(2)18-10-9-17(15-21-18)23-11-13-24(14-12-23)20(26)8-6-4-3-5-7-19(25)22-27/h9-10,15-16,27H,3-8,11-14H2,1-2H3,(H,22,25)
InChIKeyACKCXPWWIOUOGP-UHFFFAOYSA-N
XLogP2.70
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
CID 10215842
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10126038
1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one
CID 161072812
methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate
CID 59134682
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 137365246
5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 4741180
5-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 83971688
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide?
The IUPAC name of N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide (CID 162697665) is N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide.
What is the SMILES notation for N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide?
The canonical SMILES for N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide is CC(C)c1ccc(N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cn1.
What is the InChIKey of N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide?
The InChIKey is ACKCXPWWIOUOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-16(2)18-10-9-17(15-21-18)23-11-13-24(14-12-23)20(26)8-6-4-3-5-7-19(25)22-27/h9-10,15-16,27H,3-8,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide?
N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide has a molecular weight of 376.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide is sourced from PubChem (CID 162697665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).