(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H26ClN3O2 — CID 155538063

IUPAC(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCC[C@@H]1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)CCN1c1ncccc1C
InChIInChI=1S/C21H26ClN3O2/c1-4-17-12-15(9-11-25(17)20-14(2)6-5-10-23-20)21(26)24-16-7-8-19(27-3)18(22)13-16/h5-8,10,13,15,17H,4,9,11-12H2,1-3H3,(H,24,26)/t15-,17-/m1/s1
InChIKeyLNXRALJARVEUQC-NVXWUHKLSA-N
MW387.91 g/mol
LogP4.69
Rot. Bonds5

About (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide

(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 155538063) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID155538063
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCC[C@@H]1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)CCN1c1ncccc1C
InChIInChI=1S/C21H26ClN3O2/c1-4-17-12-15(9-11-25(17)20-14(2)6-5-10-23-20)21(26)24-16-7-8-19(27-3)18(22)13-16/h5-8,10,13,15,17H,4,9,11-12H2,1-3H3,(H,24,26)/t15-,17-/m1/s1
InChIKeyLNXRALJARVEUQC-NVXWUHKLSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 155512656
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 155537366
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 155539322
N-(3-chloro-4-methoxyphenyl)-4-methyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 155513407
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 155538063) is (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide is CC[C@@H]1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)CCN1c1ncccc1C.
What is the InChIKey of (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LNXRALJARVEUQC-NVXWUHKLSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-17-12-15(9-11-25(17)20-14(2)6-5-10-23-20)21(26)24-16-7-8-19(27-3)18(22)13-16/h5-8,10,13,15,17H,4,9,11-12H2,1-3H3,(H,24,26)/t15-,17-/m1/s1.
What are the key properties of (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 155538063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).