1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

C18H30N4O2 — CID 164691194

IUPAC1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCOC1(CN(C)C)CCN(C(=O)CN(C)Cc2ccncc2)CC1
InChIInChI=1S/C18H30N4O2/c1-20(2)15-18(24-4)7-11-22(12-8-18)17(23)14-21(3)13-16-5-9-19-10-6-16/h5-6,9-10H,7-8,11-15H2,1-4H3
InChIKeyXPRCTMAZOMPSKR-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.08
Rot. Bonds7

About 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (PubChem CID 164691194) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
PubChem CID164691194
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCOC1(CN(C)C)CCN(C(=O)CN(C)Cc2ccncc2)CC1
InChIInChI=1S/C18H30N4O2/c1-20(2)15-18(24-4)7-11-22(12-8-18)17(23)14-21(3)13-16-5-9-19-10-6-16/h5-6,9-10H,7-8,11-15H2,1-4H3
InChIKeyXPRCTMAZOMPSKR-UHFFFAOYSA-N
XLogP1.08
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 137340836
1-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 155502443
(3R,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidine-3-carboxylic acid
CID 155919575
(3R)-3-(3-methylbut-2-enyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidine-3-carboxylic acid
CID 97154272
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 86286733
1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 138386665
methyl 5-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50960366
1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
CID 60912714
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135898022
2-tert-butyl-1'-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155492452
1-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 138379799

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (CID 164691194) is 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is COC1(CN(C)C)CCN(C(=O)CN(C)Cc2ccncc2)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The InChIKey is XPRCTMAZOMPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-20(2)15-18(24-4)7-11-22(12-8-18)17(23)14-21(3)13-16-5-9-19-10-6-16/h5-6,9-10H,7-8,11-15H2,1-4H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone has a molecular weight of 334.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 164691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).