(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone

C17H24N4O2 — CID 816652

IUPAC(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnccn3)C2)CC1
InChIInChI=1S/C17H24N4O2/c1-13-4-9-20(10-5-13)16(22)14-3-2-8-21(12-14)17(23)15-11-18-6-7-19-15/h6-7,11,13-14H,2-5,8-10,12H2,1H3/t14-/m1/s1
InChIKeyYXFUOWFCWZLQQE-CQSZACIVSA-N
MW316.40 g/mol
LogP1.59
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone

(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 816652) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
PubChem CID816652
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnccn3)C2)CC1
InChIInChI=1S/C17H24N4O2/c1-13-4-9-20(10-5-13)16(22)14-3-2-8-21(12-14)17(23)15-11-18-6-7-19-15/h6-7,11,13-14H,2-5,8-10,12H2,1H3/t14-/m1/s1
InChIKeyYXFUOWFCWZLQQE-CQSZACIVSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 6946276
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(3-methylcyclobutyl)methanone
CID 131689109
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031784
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone (CID 816652) is (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone is CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnccn3)C2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is YXFUOWFCWZLQQE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-4-9-20(10-5-13)16(22)14-3-2-8-21(12-14)17(23)15-11-18-6-7-19-15/h6-7,11,13-14H,2-5,8-10,12H2,1H3/t14-/m1/s1.
What are the key properties of (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone?
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 816652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).