(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide

C16H22Cl2N2O — CID 120621643

IUPAC(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H22Cl2N2O/c1-10-8-12(6-7-19-10)16(21)20(3)11(2)14-5-4-13(17)9-15(14)18/h4-5,9-12,19H,6-8H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyKHOJTBPZUQYZTJ-PRWSFJOGSA-N
MW329.27 g/mol
LogP3.90
Rot. Bonds3

About (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120621643) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120621643
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H22Cl2N2O/c1-10-8-12(6-7-19-10)16(21)20(3)11(2)14-5-4-13(17)9-15(14)18/h4-5,9-12,19H,6-8H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyKHOJTBPZUQYZTJ-PRWSFJOGSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide (CID 120621643) is (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is KHOJTBPZUQYZTJ-PRWSFJOGSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-10-8-12(6-7-19-10)16(21)20(3)11(2)14-5-4-13(17)9-15(14)18/h4-5,9-12,19H,6-8H2,1-3H3/t10-,11?,12-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2,4-dichlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120621643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).