1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C19H30N4O — CID 134055432

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC1CCCC(C)N1C(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-16-6-5-7-17(2)23(16)19(24)15-22-12-10-21(11-13-22)14-18-8-3-4-9-20-18/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3
InChIKeyCNZGUPGONXSNIZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 134055432) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID134055432
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC1CCCC(C)N1C(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-16-6-5-7-17(2)23(16)19(24)15-22-12-10-21(11-13-22)14-18-8-3-4-9-20-18/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3
InChIKeyCNZGUPGONXSNIZ-UHFFFAOYSA-N
XLogP1.99
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8693532
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124966125
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
3,3-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 16573038
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-(2-chlorophenyl)-2-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799798
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 134055432) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is CC1CCCC(C)N1C(=O)CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CNZGUPGONXSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-6-5-7-17(2)23(16)19(24)15-22-12-10-21(11-13-22)14-18-8-3-4-9-20-18/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 330.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134055432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).