[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone

C21H26N2O2 — CID 74244180

IUPAC[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)COc1ccccc1-c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O2/c1-16(2)15-25-19-11-5-4-9-17(19)20-18(10-8-12-22-20)21(24)23-13-6-3-7-14-23/h4-5,8-12,16H,3,6-7,13-15H2,1-2H3
InChIKeyVJTRVHWIQUOQQG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.41
Rot. Bonds5

About [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 74244180) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID74244180
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)COc1ccccc1-c1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O2/c1-16(2)15-25-19-11-5-4-9-17(19)20-18(10-8-12-22-20)21(24)23-13-6-3-7-14-23/h4-5,8-12,16H,3,6-7,13-15H2,1-2H3
InChIKeyVJTRVHWIQUOQQG-UHFFFAOYSA-N
XLogP4.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 162638191
(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
CID 110932062
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74242283
N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46390267
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808666

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 74244180) is [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone is CC(C)COc1ccccc1-c1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VJTRVHWIQUOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)15-25-19-11-5-4-9-17(19)20-18(10-8-12-22-20)21(24)23-13-6-3-7-14-23/h4-5,8-12,16H,3,6-7,13-15H2,1-2H3.
What are the key properties of [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74244180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).