[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone

C19H30N4O2 — CID 125008644

IUPAC[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
SMILESCN(C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCCCO3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-22(2)14-17-13-20-16(12-21-17)11-15-6-8-23(9-7-15)19(24)18-5-3-4-10-25-18/h12-13,15,18H,3-11,14H2,1-2H3/t18-/m0/s1
InChIKeyUWOVNVSJDITBER-SFHVURJKSA-N
MW346.48 g/mol
LogP1.89
Rot. Bonds5

About [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone

[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone (PubChem CID 125008644) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone.

Molecular Properties

Compound Name[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
PubChem CID125008644
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
SMILESCN(C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCCCO3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-22(2)14-17-13-20-16(12-21-17)11-15-6-8-23(9-7-15)19(24)18-5-3-4-10-25-18/h12-13,15,18H,3-11,14H2,1-2H3/t18-/m0/s1
InChIKeyUWOVNVSJDITBER-SFHVURJKSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110116877
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110116848
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone
CID 124988881
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631
[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74238548

Frequently Asked Questions

What is the IUPAC name of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The IUPAC name of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone (CID 125008644) is [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone.
What is the SMILES notation for [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The canonical SMILES for [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone is CN(C)Cc1cnc(CC2CCN(C(=O)[C@@H]3CCCCO3)CC2)cn1.
What is the InChIKey of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The InChIKey is UWOVNVSJDITBER-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22(2)14-17-13-20-16(12-21-17)11-15-6-8-23(9-7-15)19(24)18-5-3-4-10-25-18/h12-13,15,18H,3-11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone is sourced from PubChem (CID 125008644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).