N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide

C16H21ClN2O3 — CID 108560135

IUPACN-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1ccccc1O
InChIInChI=1S/C16H21ClN2O3/c17-9-3-6-15(21)19-10-7-12(8-11-19)18-16(22)13-4-1-2-5-14(13)20/h1-2,4-5,12,20H,3,6-11H2,(H,18,22)
InChIKeyZZYAJRZNEPMJSS-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.13
Rot. Bonds5

About N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide (PubChem CID 108560135) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
PubChem CID108560135
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1ccccc1O
InChIInChI=1S/C16H21ClN2O3/c17-9-3-6-15(21)19-10-7-12(8-11-19)18-16(22)13-4-1-2-5-14(13)20/h1-2,4-5,12,20H,3,6-11H2,(H,18,22)
InChIKeyZZYAJRZNEPMJSS-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
CID 108551390
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide (CID 108560135) is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide is O=C(NC1CCN(C(=O)CCCCl)CC1)c1ccccc1O.
What is the InChIKey of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide?
The InChIKey is ZZYAJRZNEPMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-9-3-6-15(21)19-10-7-12(8-11-19)18-16(22)13-4-1-2-5-14(13)20/h1-2,4-5,12,20H,3,6-11H2,(H,18,22).
What are the key properties of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide?
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide has a molecular weight of 324.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 108560135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).