2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide

C19H27N3O3 — CID 48640230

IUPAC2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-14-12-21(13-19(2,3)25-14)18(24)20-15-7-6-8-16(11-15)22-10-5-4-9-17(22)23/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeySIKMPBYGGLLBHT-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.23
Rot. Bonds2

About 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide (PubChem CID 48640230) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
PubChem CID48640230
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-14-12-21(13-19(2,3)25-14)18(24)20-15-7-6-8-16(11-15)22-10-5-4-9-17(22)23/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeySIKMPBYGGLLBHT-UHFFFAOYSA-N
XLogP3.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 48639893
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
3-methyl-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074906
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
(6R)-2,2,6-trimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 95135103
(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
CID 120924428
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46596271

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide (CID 48640230) is 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(N3CCCCC3=O)c2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is SIKMPBYGGLLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-12-21(13-19(2,3)25-14)18(24)20-15-7-6-8-16(11-15)22-10-5-4-9-17(22)23/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 48640230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).