[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C20H25N3O2 — CID 137466986

IUPAC[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCNc1ccc(C)c(OC2CCN(C(=O)c3ccc(C)nc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-14-4-7-17(21-3)12-19(14)25-18-8-10-23(11-9-18)20(24)16-6-5-15(2)22-13-16/h4-7,12-13,18,21H,8-11H2,1-3H3
InChIKeyXIFLHVABJZESSE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds4

About [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 137466986) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID137466986
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCNc1ccc(C)c(OC2CCN(C(=O)c3ccc(C)nc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-14-4-7-17(21-3)12-19(14)25-18-8-10-23(11-9-18)20(24)16-6-5-15(2)22-13-16/h4-7,12-13,18,21H,8-11H2,1-3H3
InChIKeyXIFLHVABJZESSE-UHFFFAOYSA-N
XLogP3.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[1-[6-(methylamino)pyridine-3-carbonyl]piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 137467019
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
4,4-difluoro-N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]cyclohexane-1-carboxamide
CID 139518773
[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 82701353
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 127044443
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566474
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
CID 90566440

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 137466986) is [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is CNc1ccc(C)c(OC2CCN(C(=O)c3ccc(C)nc3)CC2)c1.
What is the InChIKey of [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is XIFLHVABJZESSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-4-7-17(21-3)12-19(14)25-18-8-10-23(11-9-18)20(24)16-6-5-15(2)22-13-16/h4-7,12-13,18,21H,8-11H2,1-3H3.
What are the key properties of [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-5-(methylamino)phenoxy]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 137466986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).