(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide

C25H30N4O4S — CID 92515328

IUPAC(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C25H30N4O4S/c30-25(26-22(19-7-2-1-3-8-19)18-28-13-15-33-16-14-28)20-9-6-12-29(17-20)24-21-10-4-5-11-23(21)34(31,32)27-24/h1-5,7-8,10-11,20,22H,6,9,12-18H2,(H,26,30)/t20-,22-/m0/s1
InChIKeyJDUCZAGMRUUGID-UNMCSNQZSA-N
MW482.61 g/mol
LogP2.04
Rot. Bonds5

About (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide

(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 92515328) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide
PubChem CID92515328
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C25H30N4O4S/c30-25(26-22(19-7-2-1-3-8-19)18-28-13-15-33-16-14-28)20-9-6-12-29(17-20)24-21-10-4-5-11-23(21)34(31,32)27-24/h1-5,7-8,10-11,20,22H,6,9,12-18H2,(H,26,30)/t20-,22-/m0/s1
InChIKeyJDUCZAGMRUUGID-UNMCSNQZSA-N
XLogP2.04
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 55485639
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 26007684
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 26007682
(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 55500749
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 51216658
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 55405202
N-(cyclopentylmethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 55612567
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 7131081
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033278
(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 35009035

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide (CID 92515328) is (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide is O=C(N[C@@H](CN1CCOCC1)c1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1.
What is the InChIKey of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide?
The InChIKey is JDUCZAGMRUUGID-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H30N4O4S/c30-25(26-22(19-7-2-1-3-8-19)18-28-13-15-33-16-14-28)20-9-6-12-29(17-20)24-21-10-4-5-11-23(21)34(31,32)27-24/h1-5,7-8,10-11,20,22H,6,9,12-18H2,(H,26,30)/t20-,22-/m0/s1.
What are the key properties of (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide?
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92515328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).