(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide

C17H32N4O2 — CID 120940415

IUPAC(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-13-16(18-7-12-23-13)17(22)19-14-3-10-21(11-4-14)15-5-8-20(2)9-6-15/h13-16,18H,3-12H2,1-2H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyAKTSWDXGUFSEMT-CJNGLKHVSA-N
MW324.47 g/mol
LogP0.04
Rot. Bonds3

About (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide (PubChem CID 120940415) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
PubChem CID120940415
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-13-16(18-7-12-23-13)17(22)19-14-3-10-21(11-4-14)15-5-8-20(2)9-6-15/h13-16,18H,3-12H2,1-2H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyAKTSWDXGUFSEMT-CJNGLKHVSA-N
XLogP0.04
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 120942686
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
(2R,3S)-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide
CID 120942818
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939379
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide (CID 120940415) is (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
The InChIKey is AKTSWDXGUFSEMT-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13-16(18-7-12-23-13)17(22)19-14-3-10-21(11-4-14)15-5-8-20(2)9-6-15/h13-16,18H,3-12H2,1-2H3,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120940415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).