(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone

C19H28N2O3 — CID 154794617

IUPAC(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(OCC3CCCCO3)CC2)c(C)n1
InChIInChI=1S/C19H28N2O3/c1-14-6-7-18(15(2)20-14)19(22)21-10-8-16(9-11-21)24-13-17-5-3-4-12-23-17/h6-7,16-17H,3-5,8-13H2,1-2H3
InChIKeyCIMUAHXIOCHWPR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.89
Rot. Bonds4

About (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone

(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 154794617) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID154794617
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(OCC3CCCCO3)CC2)c(C)n1
InChIInChI=1S/C19H28N2O3/c1-14-6-7-18(15(2)20-14)19(22)21-10-8-16(9-11-21)24-13-17-5-3-4-12-23-17/h6-7,16-17H,3-5,8-13H2,1-2H3
InChIKeyCIMUAHXIOCHWPR-UHFFFAOYSA-N
XLogP2.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 136532454
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
[2-(morpholin-4-ylmethyl)phenyl]-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
CID 99814762
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 154752669
3-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 109448869
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone (CID 154794617) is (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(OCC3CCCCO3)CC2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is CIMUAHXIOCHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-6-7-18(15(2)20-14)19(22)21-10-8-16(9-11-21)24-13-17-5-3-4-12-23-17/h6-7,16-17H,3-5,8-13H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone?
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 154794617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).