(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid

C21H33N3O5 — CID 171688374

IUPAC(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid
SMILESCCOc1ccc(C2[C@H](C(=O)NCCN(C)C)CCC(=O)N2CC)cc1.O=CO
InChIInChI=1S/C20H31N3O3.CH2O2/c1-5-23-18(24)12-11-17(20(25)21-13-14-22(3)4)19(23)15-7-9-16(10-8-15)26-6-2;2-1-3/h7-10,17,19H,5-6,11-14H2,1-4H3,(H,21,25);1H,(H,2,3)/t17-,19?;/m1./s1
InChIKeyCTIHIBOLDHHBHI-OWXCZVATSA-N
MW407.51 g/mol
LogP1.76
Rot. Bonds8

About (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid

(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid (PubChem CID 171688374) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid.

Molecular Properties

Compound Name(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid
PubChem CID171688374
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Name(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid
SMILESCCOc1ccc(C2[C@H](C(=O)NCCN(C)C)CCC(=O)N2CC)cc1.O=CO
InChIInChI=1S/C20H31N3O3.CH2O2/c1-5-23-18(24)12-11-17(20(25)21-13-14-22(3)4)19(23)15-7-9-16(10-8-15)26-6-2;2-1-3/h7-10,17,19H,5-6,11-14H2,1-4H3,(H,21,25);1H,(H,2,3)/t17-,19?;/m1./s1
InChIKeyCTIHIBOLDHHBHI-OWXCZVATSA-N
XLogP1.76
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7188451
(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 127244533
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087607
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
CID 52503577
(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087251
(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 6986931
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087370
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid?
The IUPAC name of (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid (CID 171688374) is (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid.
What is the SMILES notation for (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid?
The canonical SMILES for (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid is CCOc1ccc(C2[C@H](C(=O)NCCN(C)C)CCC(=O)N2CC)cc1.O=CO.
What is the InChIKey of (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid?
The InChIKey is CTIHIBOLDHHBHI-OWXCZVATSA-N. The full InChI is InChI=1S/C20H31N3O3.CH2O2/c1-5-23-18(24)12-11-17(20(25)21-13-14-22(3)4)19(23)15-7-9-16(10-8-15)26-6-2;2-1-3/h7-10,17,19H,5-6,11-14H2,1-4H3,(H,21,25);1H,(H,2,3)/t17-,19?;/m1./s1.
What are the key properties of (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid?
(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid has a molecular weight of 407.51 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid is sourced from PubChem (CID 171688374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).