1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

C18H25N3O3 — CID 120920419

IUPAC1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-13-16(19-9-11-24-13)18(23)21-10-5-6-14(12-21)17(22)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,16,19H,5-6,9-12H2,1H3,(H,20,22)/t13-,14?,16+/m1/s1
InChIKeyNRAFWIUQYAINCY-XIFZVWCKSA-N
MW331.42 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 120920419) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID120920419
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-13-16(19-9-11-24-13)18(23)21-10-5-6-14(12-21)17(22)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,16,19H,5-6,9-12H2,1H3,(H,20,22)/t13-,14?,16+/m1/s1
InChIKeyNRAFWIUQYAINCY-XIFZVWCKSA-N
XLogP1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea
CID 120929396
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
(2R,3S)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120926374
(3-ethyl-4-phenylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120936914
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 120920419) is 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is NRAFWIUQYAINCY-XIFZVWCKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-16(19-9-11-24-13)18(23)21-10-5-6-14(12-21)17(22)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,16,19H,5-6,9-12H2,1H3,(H,20,22)/t13-,14?,16+/m1/s1.
What are the key properties of 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 120920419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).