1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one

C19H24N4O2 — CID 53185557

IUPAC1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCOc1nccnc1NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-19-18(20-11-12-21-19)22-16-9-13-23(14-10-16)17(24)8-7-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,20,22)
InChIKeyZQFMDBGRLKMDRN-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds6

About 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 53185557) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID53185557
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCOc1nccnc1NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-19-18(20-11-12-21-19)22-16-9-13-23(14-10-16)17(24)8-7-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,20,22)
InChIKeyZQFMDBGRLKMDRN-UHFFFAOYSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
CID 87053000
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133493418
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
CID 120986204
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
3-phenyl-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]propan-1-one
CID 53190818
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one (CID 53185557) is 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one is COc1nccnc1NC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is ZQFMDBGRLKMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-19-18(20-11-12-21-19)22-16-9-13-23(14-10-16)17(24)8-7-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,20,22).
What are the key properties of 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 53185557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).