3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C17H26N2O4 — CID 97281858

IUPAC3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCOCCC[C@H]1CCCCN1C(=O)Cn1cccc(OC)c1=O
InChIInChI=1S/C17H26N2O4/c1-22-12-6-8-14-7-3-4-11-19(14)16(20)13-18-10-5-9-15(23-2)17(18)21/h5,9-10,14H,3-4,6-8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyCWNHQPAORQEEKM-CQSZACIVSA-N
MW322.40 g/mol
LogP1.66
Rot. Bonds7

About 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 97281858) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID97281858
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCOCCC[C@H]1CCCCN1C(=O)Cn1cccc(OC)c1=O
InChIInChI=1S/C17H26N2O4/c1-22-12-6-8-14-7-3-4-11-19(14)16(20)13-18-10-5-9-15(23-2)17(18)21/h5,9-10,14H,3-4,6-8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyCWNHQPAORQEEKM-CQSZACIVSA-N
XLogP1.66
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-[2-[2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72913931
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 131906931
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70725098
[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70741469
3-methoxy-1-[2-oxo-2-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 97278881
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
CID 72931086
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 125148961
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97283001

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 97281858) is 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is COCCC[C@H]1CCCCN1C(=O)Cn1cccc(OC)c1=O.
What is the InChIKey of 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is CWNHQPAORQEEKM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-22-12-6-8-14-7-3-4-11-19(14)16(20)13-18-10-5-9-15(23-2)17(18)21/h5,9-10,14H,3-4,6-8,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 322.40 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 97281858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).