N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide

C15H20Cl2N2O — CID 63122554

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1(C)CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10(11-3-4-12(16)13(17)9-11)19-14(20)15(2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyXQTXLCVGUDFKBC-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide (PubChem CID 63122554) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
PubChem CID63122554
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1(C)CCNCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10(11-3-4-12(16)13(17)9-11)19-14(20)15(2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyXQTXLCVGUDFKBC-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide (CID 63122554) is N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide is CC(NC(=O)C1(C)CCNCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is XQTXLCVGUDFKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(11-3-4-12(16)13(17)9-11)19-14(20)15(2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63122554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).