(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone

C16H23N3O2 — CID 84577108

IUPAC(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
SMILESCC1CCCCN1C(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H23N3O2/c1-13-5-2-3-8-19(13)16(20)14-6-4-7-17-15(14)18-9-11-21-12-10-18/h4,6-7,13H,2-3,5,8-12H2,1H3
InChIKeyIBSCIVDQSLBGHB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.93
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone

(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 84577108) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID84577108
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
SMILESCC1CCCCN1C(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H23N3O2/c1-13-5-2-3-8-19(13)16(20)14-6-4-7-17-15(14)18-9-11-21-12-10-18/h4,6-7,13H,2-3,5,8-12H2,1H3
InChIKeyIBSCIVDQSLBGHB-UHFFFAOYSA-N
XLogP1.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 84574657
N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 124732893
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51925941
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone (CID 84577108) is (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone is CC1CCCCN1C(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is IBSCIVDQSLBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-5-2-3-8-19(13)16(20)14-6-4-7-17-15(14)18-9-11-21-12-10-18/h4,6-7,13H,2-3,5,8-12H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone?
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 84577108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).