5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride

C14H13Cl2NO3 — CID 156548712

IUPAC5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)cc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C14H13Cl2NO3/c15-12(18)9-6-10(13(16)19)8-11(7-9)14(20)17-4-2-1-3-5-17/h6-8H,1-5H2
InChIKeyYODKVXOMGGLSMD-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.07
Rot. Bonds3

About 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride

5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride (PubChem CID 156548712) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
PubChem CID156548712
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)cc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C14H13Cl2NO3/c15-12(18)9-6-10(13(16)19)8-11(7-9)14(20)17-4-2-1-3-5-17/h6-8H,1-5H2
InChIKeyYODKVXOMGGLSMD-UHFFFAOYSA-N
XLogP3.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
benzene-1,3,5-tricarbonyl chloride;cyclohexane
CID 174669579
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
CID 50849504
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
3-[1,7-bis(3-carbonochloridoyl-5-hydroxybenzoyl)-2,3,5,6-tetrahydro-1,4,7-triazonine-4-carbonyl]-5-hydroxybenzoyl chloride
CID 54135782
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
3-(azecane-1-carbonyl)benzamide
CID 66696565

Frequently Asked Questions

What is the IUPAC name of 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride?
The IUPAC name of 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride (CID 156548712) is 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride?
The canonical SMILES for 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride is O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride?
The InChIKey is YODKVXOMGGLSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c15-12(18)9-6-10(13(16)19)8-11(7-9)14(20)17-4-2-1-3-5-17/h6-8H,1-5H2.
What are the key properties of 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride?
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride has a molecular weight of 314.17 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 156548712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).