[4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone

C19H31N5O — CID 110258356

IUPAC[4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
SMILESCN(C)c1nccnc1C1CCN(C(=O)C2(C)CCCCN2C)CC1
InChIInChI=1S/C19H31N5O/c1-19(9-5-6-12-23(19)4)18(25)24-13-7-15(8-14-24)16-17(22(2)3)21-11-10-20-16/h10-11,15H,5-9,12-14H2,1-4H3
InChIKeyONDVNPOTKFFQLU-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.12
Rot. Bonds3

About [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone

[4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone (PubChem CID 110258356) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
PubChem CID110258356
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
SMILESCN(C)c1nccnc1C1CCN(C(=O)C2(C)CCCCN2C)CC1
InChIInChI=1S/C19H31N5O/c1-19(9-5-6-12-23(19)4)18(25)24-13-7-15(8-14-24)16-17(22(2)3)21-11-10-20-16/h10-11,15H,5-9,12-14H2,1-4H3
InChIKeyONDVNPOTKFFQLU-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(Pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821990
1-[4-[[5-(Pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 95823803
2-[4-[6-(Dimethylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95823972
1-[4-[6-(Azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824988
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 95825566
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 118741796
(4,4-Difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
(4,4-difluorocyclohexyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124945612
(4,4-difluorocyclohexyl)-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124945613
3-(4-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-ylmethyl)-piperidin-2-one
CID 11529397
1-[4-[1-(3,6-Dimethylpyrazin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11595396

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
The IUPAC name of [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone (CID 110258356) is [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone is CN(C)c1nccnc1C1CCN(C(=O)C2(C)CCCCN2C)CC1.
What is the InChIKey of [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
The InChIKey is ONDVNPOTKFFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(9-5-6-12-23(19)4)18(25)24-13-7-15(8-14-24)16-17(22(2)3)21-11-10-20-16/h10-11,15H,5-9,12-14H2,1-4H3.
What are the key properties of [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
[4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone is sourced from PubChem (CID 110258356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).