N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide

C16H22N4O5S — CID 134702371

IUPACN-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1
InChIInChI=1S/C16H22N4O5S/c1-26(23,24)19-12-4-7-20(8-5-12)16(22)15-14(18-13(21)10-25-15)11-3-2-6-17-9-11/h2-3,6,9,12,14-15,19H,4-5,7-8,10H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyUYUKYDCUBFTDER-CABCVRRESA-N
MW382.44 g/mol
LogP-0.82
Rot. Bonds4

About N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide

N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 134702371) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
PubChem CID134702371
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1
InChIInChI=1S/C16H22N4O5S/c1-26(23,24)19-12-4-7-20(8-5-12)16(22)15-14(18-13(21)10-25-15)11-3-2-6-17-9-11/h2-3,6,9,12,14-15,19H,4-5,7-8,10H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyUYUKYDCUBFTDER-CABCVRRESA-N
XLogP-0.82
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(2S,3R)-N-[2-methyl-2-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134701114
(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134703018
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134697154
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
(2S,3R)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134711226
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(2S,3R)-N-butyl-N-cycloheptyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134697254
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide (CID 134702371) is N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)CC1.
What is the InChIKey of N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is UYUKYDCUBFTDER-CABCVRRESA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-26(23,24)19-12-4-7-20(8-5-12)16(22)15-14(18-13(21)10-25-15)11-3-2-6-17-9-11/h2-3,6,9,12,14-15,19H,4-5,7-8,10H2,1H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 382.44 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 134702371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).