(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide

C12H21N3O3 — CID 124691551

IUPAC(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
SMILESC[C@@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCCN1
InChIInChI=1S/C12H21N3O3/c1-12(4-2-3-5-14-12)11(17)15-6-7-18-9(8-15)10(13)16/h9,14H,2-8H2,1H3,(H2,13,16)/t9-,12-/m0/s1
InChIKeyHCRLERYDYYQLSY-CABZTGNLSA-N
MW255.32 g/mol
LogP-0.77
Rot. Bonds2

About (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide

(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide (PubChem CID 124691551) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
PubChem CID124691551
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
SMILESC[C@@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCCN1
InChIInChI=1S/C12H21N3O3/c1-12(4-2-3-5-14-12)11(17)15-6-7-18-9(8-15)10(13)16/h9,14H,2-8H2,1H3,(H2,13,16)/t9-,12-/m0/s1
InChIKeyHCRLERYDYYQLSY-CABZTGNLSA-N
XLogP-0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536777
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxamide
CID 60607124
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 115747636
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
CID 113430850
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide (CID 124691551) is (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide is C[C@@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCCN1.
What is the InChIKey of (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide?
The InChIKey is HCRLERYDYYQLSY-CABZTGNLSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(4-2-3-5-14-12)11(17)15-6-7-18-9(8-15)10(13)16/h9,14H,2-8H2,1H3,(H2,13,16)/t9-,12-/m0/s1.
What are the key properties of (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide?
(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 124691551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).