ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate

C21H31N3O4 — CID 8553056

IUPACethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)CN(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C21H31N3O4/c1-5-28-21(27)18-11-6-7-12-24(18)20(26)14-23(4)13-19(25)22-17-10-8-9-15(2)16(17)3/h8-10,18H,5-7,11-14H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyPDWCVSLHSSPWNS-GOSISDBHSA-N
MW389.50 g/mol
LogP2.12
Rot. Bonds7

About ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate

ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate (PubChem CID 8553056) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate
PubChem CID8553056
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Nameethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)CN(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C21H31N3O4/c1-5-28-21(27)18-11-6-7-12-24(18)20(26)14-23(4)13-19(25)22-17-10-8-9-15(2)16(17)3/h8-10,18H,5-7,11-14H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyPDWCVSLHSSPWNS-GOSISDBHSA-N
XLogP2.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate 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

2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 11929445
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 86906760
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
CID 55446136
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025965
ethyl 4-[3-(2,3-dimethylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950321
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
CID 3362158

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate (CID 8553056) is ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate?
The InChIKey is PDWCVSLHSSPWNS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-5-28-21(27)18-11-6-7-12-24(18)20(26)14-23(4)13-19(25)22-17-10-8-9-15(2)16(17)3/h8-10,18H,5-7,11-14H2,1-4H3,(H,22,25)/t18-/m1/s1.
What are the key properties of ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate?
ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 8553056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).