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

C16H31N3O3 — CID 120942686

IUPAC(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCC(C)OCCN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C16H31N3O3/c1-12(2)21-11-9-19-7-4-14(5-8-19)18-16(20)15-13(3)22-10-6-17-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)/t13-,15+/m1/s1
InChIKeyWEBBDGZGWRUVOK-HIFRSBDPSA-N
MW313.44 g/mol
LogP0.37
Rot. Bonds6

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

(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide (PubChem CID 120942686) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
PubChem CID120942686
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCC(C)OCCN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C16H31N3O3/c1-12(2)21-11-9-19-7-4-14(5-8-19)18-16(20)15-13(3)22-10-6-17-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)/t13-,15+/m1/s1
InChIKeyWEBBDGZGWRUVOK-HIFRSBDPSA-N
XLogP0.37
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
CID 120940415
(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939379
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 120926267
(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120801392
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
2-(cyclopropylmethylamino)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 119898185

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide (CID 120942686) is (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide is CC(C)OCCN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide?
The InChIKey is WEBBDGZGWRUVOK-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-12(2)21-11-9-19-7-4-14(5-8-19)18-16(20)15-13(3)22-10-6-17-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.37, 6 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-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120942686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).