(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C16H24N2O2 — CID 102957626

IUPAC(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCCC(OC)C1
InChIInChI=1S/C16H24N2O2/c1-17-10-9-13-6-3-4-8-15(13)16(19)18-11-5-7-14(12-18)20-2/h3-4,6,8,14,17H,5,7,9-12H2,1-2H3
InChIKeyIVMHFFVNDQPMKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds5

About (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 102957626) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID102957626
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCCC(OC)C1
InChIInChI=1S/C16H24N2O2/c1-17-10-9-13-6-3-4-8-15(13)16(19)18-11-5-7-14(12-18)20-2/h3-4,6,8,14,17H,5,7,9-12H2,1-2H3
InChIKeyIVMHFFVNDQPMKW-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313894
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
2-[2-(3-methoxypiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119181332
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
(4-bromo-2-sulfanylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 107036874

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 102957626) is (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CNCCc1ccccc1C(=O)N1CCCC(OC)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is IVMHFFVNDQPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-10-9-13-6-3-4-8-15(13)16(19)18-11-5-7-14(12-18)20-2/h3-4,6,8,14,17H,5,7,9-12H2,1-2H3.
What are the key properties of (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 102957626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).