[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C16H22N6O — CID 110113329

IUPAC[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C)c1nccnc1CC1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C16H22N6O/c1-21(2)15-14(17-7-8-18-15)10-12-4-3-9-22(11-12)16(23)13-5-6-19-20-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyKYDJMANLZYEKSZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds4

About [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110113329) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110113329
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C)c1nccnc1CC1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C16H22N6O/c1-21(2)15-14(17-7-8-18-15)10-12-4-3-9-22(11-12)16(23)13-5-6-19-20-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyKYDJMANLZYEKSZ-UHFFFAOYSA-N
XLogP1.36
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124976884
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098808
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124982567
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
CID 124948806
1H-pyrazol-5-yl-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955498
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95399020
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110113337

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110113329) is [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CN(C)c1nccnc1CC1CCCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is KYDJMANLZYEKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-21(2)15-14(17-7-8-18-15)10-12-4-3-9-22(11-12)16(23)13-5-6-19-20-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110113329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).