7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C22H30N4O — CID 153376531

IUPAC7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1cc(CC2CCCN([C@@H](C)c3cnc4c(c3)OCCN4)C2)cc(C)n1
InChIInChI=1S/C22H30N4O/c1-15-9-19(10-16(2)25-15)11-18-5-4-7-26(14-18)17(3)20-12-21-22(24-13-20)23-6-8-27-21/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3,(H,23,24)/t17-,18?/m0/s1
InChIKeyOUKJWMLRMIIDOO-ZENAZSQFSA-N
MW366.51 g/mol
LogP3.91
Rot. Bonds4

About 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 153376531) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID153376531
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCc1cc(CC2CCCN([C@@H](C)c3cnc4c(c3)OCCN4)C2)cc(C)n1
InChIInChI=1S/C22H30N4O/c1-15-9-19(10-16(2)25-15)11-18-5-4-7-26(14-18)17(3)20-12-21-22(24-13-20)23-6-8-27-21/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3,(H,23,24)/t17-,18?/m0/s1
InChIKeyOUKJWMLRMIIDOO-ZENAZSQFSA-N
XLogP3.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 153376531) is 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Cc1cc(CC2CCCN([C@@H](C)c3cnc4c(c3)OCCN4)C2)cc(C)n1.
What is the InChIKey of 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is OUKJWMLRMIIDOO-ZENAZSQFSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15-9-19(10-16(2)25-15)11-18-5-4-7-26(14-18)17(3)20-12-21-22(24-13-20)23-6-8-27-21/h9-10,12-13,17-18H,4-8,11,14H2,1-3H3,(H,23,24)/t17-,18?/m0/s1.
What are the key properties of 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 366.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 153376531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).