(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide

C20H27Cl2N3O2 — CID 124738392

IUPAC(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O2/c1-2-15-6-3-4-11-25(15)19(26)13-24-10-5-7-18(24)20(27)23-17-9-8-14(21)12-16(17)22/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,23,27)/t15-,18-/m0/s1
InChIKeyQTKCDMFHHCJRHK-YJBOKZPZSA-N
MW412.36 g/mol
LogP4.19
Rot. Bonds5

About (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide

(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 124738392) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID124738392
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O2/c1-2-15-6-3-4-11-25(15)19(26)13-24-10-5-7-18(24)20(27)23-17-9-8-14(21)12-16(17)22/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,23,27)/t15-,18-/m0/s1
InChIKeyQTKCDMFHHCJRHK-YJBOKZPZSA-N
XLogP4.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[2-[(2,4-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47027344
N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 42957890
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
(2S)-N-(2,4-dichlorophenyl)-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrrolidine-2-carboxamide
CID 129419103
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 120589192
N-(2,5-dichlorophenyl)-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406120
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 124738392) is (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide is CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is QTKCDMFHHCJRHK-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c1-2-15-6-3-4-11-25(15)19(26)13-24-10-5-7-18(24)20(27)23-17-9-8-14(21)12-16(17)22/h8-9,12,15,18H,2-7,10-11,13H2,1H3,(H,23,27)/t15-,18-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide?
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 412.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124738392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).