(2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate

C25H31N3O5S — CID 46648615

IUPAC(2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1
InChIInChI=1S/C25H31N3O5S/c29-24(26-21-10-4-1-5-11-21)19-33-25(30)20-12-13-22(27-14-6-2-7-15-27)23(18-20)34(31,32)28-16-8-3-9-17-28/h1,4-5,10-13,18H,2-3,6-9,14-17,19H2,(H,26,29)
InChIKeyPNAIYSZSWLIKPQ-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.65
Rot. Bonds7

About (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate

(2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 46648615) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
PubChem CID46648615
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name(2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1
InChIInChI=1S/C25H31N3O5S/c29-24(26-21-10-4-1-5-11-21)19-33-25(30)20-12-13-22(27-14-6-2-7-15-27)23(18-20)34(31,32)28-16-8-3-9-17-28/h1,4-5,10-13,18H,2-3,6-9,14-17,19H2,(H,26,29)
InChIKeyPNAIYSZSWLIKPQ-UHFFFAOYSA-N
XLogP3.65
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate 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-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[2-(3-chloroanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513890
[2-(4-iodoanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2348151
(2-anilino-2-oxoethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 55313339
[2-(4-ethylanilino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 2419203
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2386484
[2-(3-acetylanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 4675674
[2-(3-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 55305639
[2-(3-chloroanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2596432
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
[2-(benzylamino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 2514219
[2-(2-bromoanilino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 42967046

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate (CID 46648615) is (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is PNAIYSZSWLIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c29-24(26-21-10-4-1-5-11-21)19-33-25(30)20-12-13-22(27-14-6-2-7-15-27)23(18-20)34(31,32)28-16-8-3-9-17-28/h1,4-5,10-13,18H,2-3,6-9,14-17,19H2,(H,26,29).
What are the key properties of (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate?
(2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 485.61 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 46648615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).