N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide

C16H20ClFN2O2 — CID 108562648

IUPACN-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1cccc(F)c1
InChIInChI=1S/C16H20ClFN2O2/c17-8-2-5-15(21)20-9-6-14(7-10-20)19-16(22)12-3-1-4-13(18)11-12/h1,3-4,11,14H,2,5-10H2,(H,19,22)
InChIKeyHYWFXIRHROXYNF-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.57
Rot. Bonds5

About N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide

N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide (PubChem CID 108562648) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
PubChem CID108562648
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC NameN-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)CCCCl)CC1)c1cccc(F)c1
InChIInChI=1S/C16H20ClFN2O2/c17-8-2-5-15(21)20-9-6-14(7-10-20)19-16(22)12-3-1-4-13(18)11-12/h1,3-4,11,14H,2,5-10H2,(H,19,22)
InChIKeyHYWFXIRHROXYNF-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide (CID 108562648) is N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide is O=C(NC1CCN(C(=O)CCCCl)CC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is HYWFXIRHROXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c17-8-2-5-15(21)20-9-6-14(7-10-20)19-16(22)12-3-1-4-13(18)11-12/h1,3-4,11,14H,2,5-10H2,(H,19,22).
What are the key properties of N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide?
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 326.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 108562648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).