[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate

C28H30N2O5S — CID 23880152

IUPAC[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H30N2O5S/c31-27(29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24)22-35-28(32)25-14-16-26(17-15-25)36(33,34)30-18-8-3-9-19-30/h1-2,4-7,10-17H,3,8-9,18-22H2
InChIKeyIZVXRBNQIJLTTC-UHFFFAOYSA-N
MW506.62 g/mol
LogP4.25
Rot. Bonds9

About [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate

[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 23880152) has the molecular formula C28H30N2O5S and a molecular weight of 506.62 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
PubChem CID23880152
Molecular FormulaC28H30N2O5S
Molecular Weight506.62 g/mol
Exact Mass506.19
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C28H30N2O5S/c31-27(29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24)22-35-28(32)25-14-16-26(17-15-25)36(33,34)30-18-8-3-9-19-30/h1-2,4-7,10-17H,3,8-9,18-22H2
InChIKeyIZVXRBNQIJLTTC-UHFFFAOYSA-N
XLogP4.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.62
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 27894234
ethyl 4-[4-[2-(dibenzylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 4847165
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
2-oxopropyl 4-piperidin-1-ylsulfonylbenzoate
CID 2557067
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2557964
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511002
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4215362
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
(3,3-dimethyl-2-oxobutyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553743
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968222

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate (CID 23880152) is [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate is O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is IZVXRBNQIJLTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5S/c31-27(29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24)22-35-28(32)25-14-16-26(17-15-25)36(33,34)30-18-8-3-9-19-30/h1-2,4-7,10-17H,3,8-9,18-22H2.
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate has a molecular weight of 506.62 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 23880152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).