N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide

C11H18ClN3O3 — CID 108513799

IUPACN-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NCCCCl)C(=O)NC(=O)C1CCNCC1
InChIInChI=1S/C11H18ClN3O3/c12-4-1-5-14-10(17)11(18)15-9(16)8-2-6-13-7-3-8/h8,13H,1-7H2,(H,14,17)(H,15,16,18)
InChIKeyQZTCEMDYYAZVMC-UHFFFAOYSA-N
MW275.74 g/mol
LogP-0.63
Rot. Bonds4

About N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide

N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108513799) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108513799
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC NameN-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NCCCCl)C(=O)NC(=O)C1CCNCC1
InChIInChI=1S/C11H18ClN3O3/c12-4-1-5-14-10(17)11(18)15-9(16)8-2-6-13-7-3-8/h8,13H,1-7H2,(H,14,17)(H,15,16,18)
InChIKeyQZTCEMDYYAZVMC-UHFFFAOYSA-N
XLogP-0.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108518524
N-cycloheptyl-N'-(piperidine-4-carbonyl)oxamide
CID 108530968
N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108506308
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-4-carboxamide
CID 108883600
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108519038
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
N-(4-carbamoylphenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530454

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide (CID 108513799) is N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide is O=C(NCCCCl)C(=O)NC(=O)C1CCNCC1.
What is the InChIKey of N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is QZTCEMDYYAZVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3/c12-4-1-5-14-10(17)11(18)15-9(16)8-2-6-13-7-3-8/h8,13H,1-7H2,(H,14,17)(H,15,16,18).
What are the key properties of N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide?
N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 275.74 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108513799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).