1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide

C12H21ClN2O2 — CID 54875909

IUPAC1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CCCCCl
InChIInChI=1S/C12H21ClN2O2/c1-9-5-6-10(12(14)17)8-15(9)11(16)4-2-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)
InChIKeyRUYYDYNTBBKYRT-UHFFFAOYSA-N
MW260.76 g/mol
LogP1.51
Rot. Bonds5

About 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide

1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 54875909) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID54875909
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CCCCCl
InChIInChI=1S/C12H21ClN2O2/c1-9-5-6-10(12(14)17)8-15(9)11(16)4-2-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17)
InChIKeyRUYYDYNTBBKYRT-UHFFFAOYSA-N
XLogP1.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide (CID 54875909) is 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)CCCCCl.
What is the InChIKey of 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is RUYYDYNTBBKYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-9-5-6-10(12(14)17)8-15(9)11(16)4-2-3-7-13/h9-10H,2-8H2,1H3,(H2,14,17).
What are the key properties of 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide?
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 260.76 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54875909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).