1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one

C16H27N3O2 — CID 82898983

IUPAC1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCOCCNCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C16H27N3O2/c1-21-12-7-17-13-15-5-4-8-18(14-15)10-11-19-9-3-2-6-16(19)20/h2-3,6,9,15,17H,4-5,7-8,10-14H2,1H3
InChIKeyNDZOYFRQMGOMIL-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.80
Rot. Bonds8

About 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one

1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82898983) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82898983
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCOCCNCC1CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C16H27N3O2/c1-21-12-7-17-13-15-5-4-8-18(14-15)10-11-19-9-3-2-6-16(19)20/h2-3,6,9,15,17H,4-5,7-8,10-14H2,1H3
InChIKeyNDZOYFRQMGOMIL-UHFFFAOYSA-N
XLogP0.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[1-[(4-iodophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65479448
N-[[1-[(4-bromophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591485
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 63847458

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one (CID 82898983) is 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one is COCCNCC1CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is NDZOYFRQMGOMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-21-12-7-17-13-15-5-4-8-18(14-15)10-11-19-9-3-2-6-16(19)20/h2-3,6,9,15,17H,4-5,7-8,10-14H2,1H3.
What are the key properties of 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 293.41 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82898983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).