[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone

C20H26N4O — CID 110116877

IUPAC[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESCN(C)Cc1cnc(CC2CCN(C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-23(2)15-19-14-21-18(13-22-19)12-16-8-10-24(11-9-16)20(25)17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3
InChIKeyXVQIDYZIYNLFAY-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.63
Rot. Bonds5

About [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone

[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 110116877) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
PubChem CID110116877
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESCN(C)Cc1cnc(CC2CCN(C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-23(2)15-19-14-21-18(13-22-19)12-16-8-10-24(11-9-16)20(25)17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3
InChIKeyXVQIDYZIYNLFAY-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110116848
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 125008644
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
CID 110095519
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone
CID 124988881
6-[[(4S)-1-benzoylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124986245
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121451736
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-thiophen-2-ylmethanone
CID 124943319
methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060

Frequently Asked Questions

What is the IUPAC name of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone (CID 110116877) is [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone is CN(C)Cc1cnc(CC2CCN(C(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is XVQIDYZIYNLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(2)15-19-14-21-18(13-22-19)12-16-8-10-24(11-9-16)20(25)17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3.
What are the key properties of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 338.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110116877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).