ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate

C20H28ClN3O3 — CID 46056192

IUPACethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H28ClN3O3/c1-2-27-20(26)16-7-9-24(10-8-16)19(25)15-22-11-13-23(14-12-22)18-5-3-17(21)4-6-18/h3-6,16H,2,7-15H2,1H3
InChIKeyIZHPLIOLKVBMBK-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.26
Rot. Bonds5

About ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 46056192) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID46056192
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Nameethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C20H28ClN3O3/c1-2-27-20(26)16-7-9-24(10-8-16)19(25)15-22-11-13-23(14-12-22)18-5-3-17(21)4-6-18/h3-6,16H,2,7-15H2,1H3
InChIKeyIZHPLIOLKVBMBK-UHFFFAOYSA-N
XLogP2.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
ethyl 7-[4-(4-chlorophenyl)piperazin-1-yl]-7-oxoheptanoate
CID 57439165
methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55353705
ethyl 1-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 55319408
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90495503

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate (CID 46056192) is ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is IZHPLIOLKVBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-2-27-20(26)16-7-9-24(10-8-16)19(25)15-22-11-13-23(14-12-22)18-5-3-17(21)4-6-18/h3-6,16H,2,7-15H2,1H3.
What are the key properties of ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 393.92 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 46056192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).