(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide

C15H21N3O2 — CID 119889210

IUPAC(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)[C@H]3CCCCN3)cc21
InChIInChI=1S/C15H21N3O2/c1-18-8-9-20-14-6-5-11(10-13(14)18)17-15(19)12-4-2-3-7-16-12/h5-6,10,12,16H,2-4,7-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyRMKSGFXBSIIBST-GFCCVEGCSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds2

About (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide

(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide (PubChem CID 119889210) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
PubChem CID119889210
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)[C@H]3CCCCN3)cc21
InChIInChI=1S/C15H21N3O2/c1-18-8-9-20-14-6-5-11(10-13(14)18)17-15(19)12-4-2-3-7-16-12/h5-6,10,12,16H,2-4,7-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyRMKSGFXBSIIBST-GFCCVEGCSA-N
XLogP1.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide
CID 119299910
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide (CID 119889210) is (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide is CN1CCOc2ccc(NC(=O)[C@H]3CCCCN3)cc21.
What is the InChIKey of (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide?
The InChIKey is RMKSGFXBSIIBST-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-8-9-20-14-6-5-11(10-13(14)18)17-15(19)12-4-2-3-7-16-12/h5-6,10,12,16H,2-4,7-9H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide?
(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide is sourced from PubChem (CID 119889210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).