ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate

C23H34N4O4 — CID 71845794

IUPACethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCN(C(=O)C(c2ccccc2)N2CCN(C)CC2)CC1
InChIInChI=1S/C23H34N4O4/c1-3-31-20(28)17-24-22(29)19-9-11-27(12-10-19)23(30)21(18-7-5-4-6-8-18)26-15-13-25(2)14-16-26/h4-8,19,21H,3,9-17H2,1-2H3,(H,24,29)
InChIKeyQWBMZADVIAUQAO-UHFFFAOYSA-N
MW430.55 g/mol
LogP0.89
Rot. Bonds7

About ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate

ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate (PubChem CID 71845794) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
PubChem CID71845794
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Nameethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCN(C(=O)C(c2ccccc2)N2CCN(C)CC2)CC1
InChIInChI=1S/C23H34N4O4/c1-3-31-20(28)17-24-22(29)19-9-11-27(12-10-19)23(30)21(18-7-5-4-6-8-18)26-15-13-25(2)14-16-26/h4-8,19,21H,3,9-17H2,1-2H3,(H,24,29)
InChIKeyQWBMZADVIAUQAO-UHFFFAOYSA-N
XLogP0.89
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate 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

1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
CID 56573027
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119486223
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]piperazine-1-carboxylate
CID 56516688
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
ethyl 2-[(1-quinolin-2-ylpiperidine-4-carbonyl)amino]acetate
CID 122142945

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate (CID 71845794) is ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CCN(C(=O)C(c2ccccc2)N2CCN(C)CC2)CC1.
What is the InChIKey of ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate?
The InChIKey is QWBMZADVIAUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-3-31-20(28)17-24-22(29)19-9-11-27(12-10-19)23(30)21(18-7-5-4-6-8-18)26-15-13-25(2)14-16-26/h4-8,19,21H,3,9-17H2,1-2H3,(H,24,29).
What are the key properties of ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate?
ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate has a molecular weight of 430.55 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 71845794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).