2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one

C16H26N4O — CID 102612429

IUPAC2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCc1nccnc1C(C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-11(2)16(21)20-9-5-14(6-10-20)19-13(4)15-12(3)17-7-8-18-15/h7-8,11,13-14,19H,5-6,9-10H2,1-4H3
InChIKeyMVKMHYGBYGXUBE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.08
Rot. Bonds4

About 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one (PubChem CID 102612429) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
PubChem CID102612429
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCc1nccnc1C(C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-11(2)16(21)20-9-5-14(6-10-20)19-13(4)15-12(3)17-7-8-18-15/h7-8,11,13-14,19H,5-6,9-10H2,1-4H3
InChIKeyMVKMHYGBYGXUBE-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
CID 129433668
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine
CID 102613119
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822153
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one (CID 102612429) is 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one is Cc1nccnc1C(C)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one?
The InChIKey is MVKMHYGBYGXUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)16(21)20-9-5-14(6-10-20)19-13(4)15-12(3)17-7-8-18-15/h7-8,11,13-14,19H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 102612429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).