N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide

C15H18Cl2N2O2 — CID 25015842

IUPACN-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
SMILESCCN1C(=O)CCCC1C(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-8-11(16)6-7-12(10)17/h6-8,13H,2-5,9H2,1H3,(H,18,21)
InChIKeyNHFNFOLYHPWTST-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.01
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide

N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide (PubChem CID 25015842) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
PubChem CID25015842
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
SMILESCCN1C(=O)CCCC1C(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-8-11(16)6-7-12(10)17/h6-8,13H,2-5,9H2,1H3,(H,18,21)
InChIKeyNHFNFOLYHPWTST-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide (CID 25015842) is N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide is CCN1C(=O)CCCC1C(=O)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
The InChIKey is NHFNFOLYHPWTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-2-19-13(4-3-5-14(19)20)15(21)18-9-10-8-11(16)6-7-12(10)17/h6-8,13H,2-5,9H2,1H3,(H,18,21).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide?
N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 25015842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).