(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide

C18H25N3O3 — CID 120920249

IUPAC(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-16(19-9-12-24-13)17(22)20-15-7-10-21(11-8-15)18(23)14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyRPMBNQXJJYQQLF-CJNGLKHVSA-N
MW331.42 g/mol
LogP0.78
Rot. Bonds3

About (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide (PubChem CID 120920249) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
PubChem CID120920249
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-16(19-9-12-24-13)17(22)20-15-7-10-21(11-8-15)18(23)14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyRPMBNQXJJYQQLF-CJNGLKHVSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 120936054
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
(2R,3S)-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929063
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120928066
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
N-(1-benzoylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119275013

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide (CID 120920249) is (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide?
The InChIKey is RPMBNQXJJYQQLF-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-16(19-9-12-24-13)17(22)20-15-7-10-21(11-8-15)18(23)14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,22)/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120920249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).