(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one

C18H22N6O3 — CID 134703018

IUPAC(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESNc1n[nH]c(C2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N6O3/c19-18-21-16(22-23-18)12-6-8-24(9-7-12)17(26)15-14(20-13(25)10-27-15)11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2,(H,20,25)(H3,19,21,22,23)/t14-,15+/m1/s1
InChIKeyDOACOXNGQUAMOI-CABCVRRESA-N
MW370.41 g/mol
LogP0.35
Rot. Bonds3

About (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one

(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one (PubChem CID 134703018) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
PubChem CID134703018
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESNc1n[nH]c(C2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N6O3/c19-18-21-16(22-23-18)12-6-8-24(9-7-12)17(26)15-14(20-13(25)10-27-15)11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2,(H,20,25)(H3,19,21,22,23)/t14-,15+/m1/s1
InChIKeyDOACOXNGQUAMOI-CABCVRRESA-N
XLogP0.35
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one 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

(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
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134698928
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134706916
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
CID 162628924
N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 134702371
(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
(3S)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454260
(3R)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454261

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one (CID 134703018) is (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one is Nc1n[nH]c(C2CCN(C(=O)[C@H]3OCC(=O)N[C@@H]3c3ccccc3)CC2)n1.
What is the InChIKey of (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one?
The InChIKey is DOACOXNGQUAMOI-CABCVRRESA-N. The full InChI is InChI=1S/C18H22N6O3/c19-18-21-16(22-23-18)12-6-8-24(9-7-12)17(26)15-14(20-13(25)10-27-15)11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2,(H,20,25)(H3,19,21,22,23)/t14-,15+/m1/s1.
What are the key properties of (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one?
(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one has a molecular weight of 370.41 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one is sourced from PubChem (CID 134703018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).