1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione

C19H27N3O3 — CID 136536818

IUPAC1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione
SMILESCc1ccnc(OC2CCN(C(=O)C(=O)N3CCCC(C)C3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14-5-8-20-17(12-14)25-16-6-10-21(11-7-16)18(23)19(24)22-9-3-4-15(2)13-22/h5,8,12,15-16H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyXAWYRWMRFMAUTQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione

1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione (PubChem CID 136536818) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione
PubChem CID136536818
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione
SMILESCc1ccnc(OC2CCN(C(=O)C(=O)N3CCCC(C)C3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14-5-8-20-17(12-14)25-16-6-10-21(11-7-16)18(23)19(24)22-9-3-4-15(2)13-22/h5,8,12,15-16H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyXAWYRWMRFMAUTQ-UHFFFAOYSA-N
XLogP2.02
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

2-cyclopentyloxy-4-methylpyridine
CID 18779821
N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide
CID 127854006
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
CID 119043464
5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122050962
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
ethane;4-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 144655486
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935
(2-cyclohexyloxy-4-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023950
trans-methyl (1S,3S)-3-[(4-methyl-2-pyridinyl)oxy]cyclopentane-1-carboxylate
CID 178139036
(1S,6R,7R)-3-(2-cyclobutyloxypyridine-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 167883339
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione (CID 136536818) is 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione is Cc1ccnc(OC2CCN(C(=O)C(=O)N3CCCC(C)C3)CC2)c1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione?
The InChIKey is XAWYRWMRFMAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-5-8-20-17(12-14)25-16-6-10-21(11-7-16)18(23)19(24)22-9-3-4-15(2)13-22/h5,8,12,15-16H,3-4,6-7,9-11,13H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione?
1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione has a molecular weight of 345.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 136536818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).