(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide

C16H20Cl2N2O2 — CID 155958747

IUPAC(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC(=O)N[C@@H](C)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-9-6-12(8-15(21)19-9)16(22)20(3)10(2)11-4-5-13(17)14(18)7-11/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,19,21)/t9-,10?,12+/m0/s1
InChIKeyPXMXVMFLKPCTFL-VXFCFVAISA-N
MW343.25 g/mol
LogP3.43
Rot. Bonds3

About (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide

(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide (PubChem CID 155958747) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide
PubChem CID155958747
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC(=O)N[C@@H](C)C1
InChIInChI=1S/C16H20Cl2N2O2/c1-9-6-12(8-15(21)19-9)16(22)20(3)10(2)11-4-5-13(17)14(18)7-11/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,19,21)/t9-,10?,12+/m0/s1
InChIKeyPXMXVMFLKPCTFL-VXFCFVAISA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide?
The IUPAC name of (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide (CID 155958747) is (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide.
What is the SMILES notation for (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide?
The canonical SMILES for (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide is CC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC(=O)N[C@@H](C)C1.
What is the InChIKey of (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide?
The InChIKey is PXMXVMFLKPCTFL-VXFCFVAISA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-9-6-12(8-15(21)19-9)16(22)20(3)10(2)11-4-5-13(17)14(18)7-11/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,19,21)/t9-,10?,12+/m0/s1.
What are the key properties of (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide?
(2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[1-(3,4-dichlorophenyl)ethyl]-N,2-dimethyl-6-oxopiperidine-4-carboxamide is sourced from PubChem (CID 155958747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).