[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone

C16H26N4O — CID 110290369

IUPAC[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)CC(C)N1CCN(C)C
InChIInChI=1S/C16H26N4O/c1-13-11-19(16(21)15-6-5-7-17-10-15)12-14(2)20(13)9-8-18(3)4/h5-7,10,13-14H,8-9,11-12H2,1-4H3
InChIKeyLWEHPFDUQWNERN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.18
Rot. Bonds4

About [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone

[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110290369) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID110290369
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)CC(C)N1CCN(C)C
InChIInChI=1S/C16H26N4O/c1-13-11-19(16(21)15-6-5-7-17-10-15)12-14(2)20(13)9-8-18(3)4/h5-7,10,13-14H,8-9,11-12H2,1-4H3
InChIKeyLWEHPFDUQWNERN-UHFFFAOYSA-N
XLogP1.18
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110290516
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95973871

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 110290369) is [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone is CC1CN(C(=O)c2cccnc2)CC(C)N1CCN(C)C.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LWEHPFDUQWNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-11-19(16(21)15-6-5-7-17-10-15)12-14(2)20(13)9-8-18(3)4/h5-7,10,13-14H,8-9,11-12H2,1-4H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone?
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110290369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).