(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone

C13H22N6O3 — CID 157014071

IUPAC(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCOC1(C(=O)N2CCOC(c3nnn(C)n3)C2)CCNCC1
InChIInChI=1S/C13H22N6O3/c1-18-16-11(15-17-18)10-9-19(7-8-22-10)12(20)13(21-2)3-5-14-6-4-13/h10,14H,3-9H2,1-2H3
InChIKeyKLADFDCUIGRPQX-UHFFFAOYSA-N
MW310.36 g/mol
LogP-1.12
Rot. Bonds3

About (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone

(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 157014071) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID157014071
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCOC1(C(=O)N2CCOC(c3nnn(C)n3)C2)CCNCC1
InChIInChI=1S/C13H22N6O3/c1-18-16-11(15-17-18)10-9-19(7-8-22-10)12(20)13(21-2)3-5-14-6-4-13/h10,14H,3-9H2,1-2H3
InChIKeyKLADFDCUIGRPQX-UHFFFAOYSA-N
XLogP-1.12
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119725542
[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119757095
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157020129
(4-methoxy-3-morpholin-4-ylphenyl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015275
methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
CID 163312715
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157013598
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014027

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone (CID 157014071) is (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone is COC1(C(=O)N2CCOC(c3nnn(C)n3)C2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is KLADFDCUIGRPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-18-16-11(15-17-18)10-9-19(7-8-22-10)12(20)13(21-2)3-5-14-6-4-13/h10,14H,3-9H2,1-2H3.
What are the key properties of (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone?
(4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 157014071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).