[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone

C18H23N5O — CID 124684724

IUPAC[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1
InChIInChI=1S/C18H23N5O/c1-19-11-14-4-3-9-23(13-14)18(24)15-5-2-6-16(10-15)22-17-12-20-7-8-21-17/h2,5-8,10,12,14,19H,3-4,9,11,13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyLMWITQDUHBMXSH-CQSZACIVSA-N
MW325.42 g/mol
LogP2.29
Rot. Bonds5

About [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone (PubChem CID 124684724) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
PubChem CID124684724
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1
InChIInChI=1S/C18H23N5O/c1-19-11-14-4-3-9-23(13-14)18(24)15-5-2-6-16(10-15)22-17-12-20-7-8-21-17/h2,5-8,10,12,14,19H,3-4,9,11,13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyLMWITQDUHBMXSH-CQSZACIVSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone with MolForge

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Related Compounds

3-[(3S)-1-[3-(pyrazin-2-ylamino)benzoyl]piperidin-3-yl]propanoic acid
CID 124700883
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124690900
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 75470359
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95838117
[3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110267556
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?
The IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone (CID 124684724) is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?
The canonical SMILES for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone is CNC[C@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1.
What is the InChIKey of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?
The InChIKey is LMWITQDUHBMXSH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O/c1-19-11-14-4-3-9-23(13-14)18(24)15-5-2-6-16(10-15)22-17-12-20-7-8-21-17/h2,5-8,10,12,14,19H,3-4,9,11,13H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone is sourced from PubChem (CID 124684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).