[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone

C19H24N4O2 — CID 125010142

IUPAC[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-13-14-4-6-16(7-5-14)19(24)23-10-2-3-15(12-23)11-17-18(20)22-9-8-21-17/h4-9,15H,2-3,10-13H2,1H3,(H2,20,22)/t15-/m1/s1
InChIKeyVHHBDYGSDVEMTR-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.30
Rot. Bonds5

About [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone

[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 125010142) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID125010142
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-13-14-4-6-16(7-5-14)19(24)23-10-2-3-15(12-23)11-17-18(20)22-9-8-21-17/h4-9,15H,2-3,10-13H2,1H3,(H2,20,22)/t15-/m1/s1
InChIKeyVHHBDYGSDVEMTR-OAHLLOKOSA-N
XLogP2.30
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone with MolForge

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Related Compounds

[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110113168
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124955017
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 155900645
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 115746439
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 60604837

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone (CID 125010142) is [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2CCC[C@H](Cc3nccnc3N)C2)cc1.
What is the InChIKey of [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is VHHBDYGSDVEMTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-13-14-4-6-16(7-5-14)19(24)23-10-2-3-15(12-23)11-17-18(20)22-9-8-21-17/h4-9,15H,2-3,10-13H2,1H3,(H2,20,22)/t15-/m1/s1.
What are the key properties of [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 125010142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).