(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride

C16H32Cl2N4O3 — CID 120939379

IUPAC(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
SMILESCCCNC(=O)CN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C16H30N4O3.2ClH/c1-3-6-17-14(21)11-20-8-4-13(5-9-20)19-16(22)15-12(2)23-10-7-18-15;;/h12-13,15,18H,3-11H2,1-2H3,(H,17,21)(H,19,22);2*1H/t12-,15+;;/m1../s1
InChIKeyJRXDWYQBOOWDRB-KJWOGLQMSA-N
MW399.36 g/mol
LogP0.31
Rot. Bonds6

About (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride

(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 120939379) has the molecular formula C16H32Cl2N4O3 and a molecular weight of 399.36 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
PubChem CID120939379
Molecular FormulaC16H32Cl2N4O3
Molecular Weight399.36 g/mol
Exact Mass398.19
IUPAC Name(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
SMILESCCCNC(=O)CN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C16H30N4O3.2ClH/c1-3-6-17-14(21)11-20-8-4-13(5-9-20)19-16(22)15-12(2)23-10-7-18-15;;/h12-13,15,18H,3-11H2,1-2H3,(H,17,21)(H,19,22);2*1H/t12-,15+;;/m1../s1
InChIKeyJRXDWYQBOOWDRB-KJWOGLQMSA-N
XLogP0.31
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 120942686
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
CID 120940415
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride (CID 120939379) is (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride is CCCNC(=O)CN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is JRXDWYQBOOWDRB-KJWOGLQMSA-N. The full InChI is InChI=1S/C16H30N4O3.2ClH/c1-3-6-17-14(21)11-20-8-4-13(5-9-20)19-16(22)15-12(2)23-10-7-18-15;;/h12-13,15,18H,3-11H2,1-2H3,(H,17,21)(H,19,22);2*1H/t12-,15+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 399.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120939379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).