(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

C23H27N3O6S — CID 92666593

IUPAC(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N(CCO)Cc4ccccc4)C3)ccc21
InChIInChI=1S/C23H27N3O6S/c1-24-20-10-9-19(14-21(20)32-23(24)29)33(30,31)26-11-5-8-18(16-26)22(28)25(12-13-27)15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18,27H,5,8,11-13,15-16H2,1H3/t18-/m1/s1
InChIKeyGTKOMIITARODHG-GOSISDBHSA-N
MW473.55 g/mol
LogP1.55
Rot. Bonds7

About (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 92666593) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID92666593
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N(CCO)Cc4ccccc4)C3)ccc21
InChIInChI=1S/C23H27N3O6S/c1-24-20-10-9-19(14-21(20)32-23(24)29)33(30,31)26-11-5-8-18(16-26)22(28)25(12-13-27)15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18,27H,5,8,11-13,15-16H2,1H3/t18-/m1/s1
InChIKeyGTKOMIITARODHG-GOSISDBHSA-N
XLogP1.55
TPSA113.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-(1-benzylpiperidin-4-yl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92666555
6-[(3S)-3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92666569
3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 40503494
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-3-carboxamide
CID 20869012
N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 126458308
3-methyl-6-(3-phenoxypiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110605467
(3S)-N,N-dibenzyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41301972
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(1-methyl-4-oxoimidazolidin-2-ylidene)piperidine-3-carboxamide
CID 135522124
6-[(3R)-3-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92853813
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
(3R)-N-benzyl-N-ethyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723457
N-(2,3-dimethylcyclohexyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868978

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide (CID 92666593) is (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide is Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N(CCO)Cc4ccccc4)C3)ccc21.
What is the InChIKey of (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is GTKOMIITARODHG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-24-20-10-9-19(14-21(20)32-23(24)29)33(30,31)26-11-5-8-18(16-26)22(28)25(12-13-27)15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18,27H,5,8,11-13,15-16H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide?
(3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-N-(2-hydroxyethyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).