1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone

C16H24N2O2 — CID 131906931

IUPAC1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESCOCCCC1CCCCN1C(=O)Cc1ccncc1
InChIInChI=1S/C16H24N2O2/c1-20-12-4-6-15-5-2-3-11-18(15)16(19)13-14-7-9-17-10-8-14/h7-10,15H,2-6,11-13H2,1H3
InChIKeyJFKATRAHFHQACG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds6

About 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone

1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 131906931) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID131906931
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESCOCCCC1CCCCN1C(=O)Cc1ccncc1
InChIInChI=1S/C16H24N2O2/c1-20-12-4-6-15-5-2-3-11-18(15)16(19)13-14-7-9-17-10-8-14/h7-10,15H,2-6,11-13H2,1H3
InChIKeyJFKATRAHFHQACG-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70725098
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
3-methoxy-1-[2-[2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72913931
3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97281858
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
1-(2-propylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107033944
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone (CID 131906931) is 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone is COCCCC1CCCCN1C(=O)Cc1ccncc1.
What is the InChIKey of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is JFKATRAHFHQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-12-4-6-15-5-2-3-11-18(15)16(19)13-14-7-9-17-10-8-14/h7-10,15H,2-6,11-13H2,1H3.
What are the key properties of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 131906931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).