[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C14H22N4O — CID 95828473

IUPAC[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN(C)CC[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C14H22N4O/c1-17(2)9-5-12-4-3-8-18(11-12)14(19)13-10-15-6-7-16-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyNWPHICRUIPYADS-LBPRGKRZSA-N
MW262.36 g/mol
LogP1.28
Rot. Bonds4

About [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95828473) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95828473
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN(C)CC[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C14H22N4O/c1-17(2)9-5-12-4-3-8-18(11-12)14(19)13-10-15-6-7-16-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyNWPHICRUIPYADS-LBPRGKRZSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyrazin-2-ylmethanone
CID 110112744
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95828473) is [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone is CN(C)CC[C@@H]1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is NWPHICRUIPYADS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)9-5-12-4-3-8-18(11-12)14(19)13-10-15-6-7-16-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 262.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95828473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).