[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone

C16H22N2O2 — CID 124595642

IUPAC[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone
SMILESCc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C16H22N2O2/c1-11-5-6-14-15(8-11)20-12(2)10-18(14)16(19)13-4-3-7-17-9-13/h5-6,8,12-13,17H,3-4,7,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyBBBGTOMQCXISPS-CHWSQXEVSA-N
MW274.36 g/mol
LogP2.11
Rot. Bonds1

About [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone

[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone (PubChem CID 124595642) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone
PubChem CID124595642
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone
SMILESCc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C16H22N2O2/c1-11-5-6-14-15(8-11)20-12(2)10-18(14)16(19)13-4-3-7-17-9-13/h5-6,8,12-13,17H,3-4,7,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyBBBGTOMQCXISPS-CHWSQXEVSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone with MolForge

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Related Compounds

[(2S)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124697728
(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 119789024
4-[(3S)-piperidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 81133693
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
1-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-piperidin-4-ylpropan-1-one
CID 129392948
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;hydrochloride
CID 120793633
(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120636162
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119789022
2-(cyclopropylmethylamino)-1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 119789031
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 71863520
1-[2-[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-3-methylurea
CID 124514303

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone (CID 124595642) is [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone is Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@@H]1CCCNC1.
What is the InChIKey of [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone?
The InChIKey is BBBGTOMQCXISPS-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-6-14-15(8-11)20-12(2)10-18(14)16(19)13-4-3-7-17-9-13/h5-6,8,12-13,17H,3-4,7,9-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone?
[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 124595642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).