3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one

C19H24N4O — CID 129475497

IUPAC3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@H](NC3Cc4ccccc4C3)C2)c1=O
InChIInChI=1S/C19H24N4O/c1-22-10-8-20-18(19(22)24)23-9-4-7-16(13-23)21-17-11-14-5-2-3-6-15(14)12-17/h2-3,5-6,8,10,16-17,21H,4,7,9,11-13H2,1H3/t16-/m0/s1
InChIKeyUAOVLXPZBQLNHT-INIZCTEOSA-N
MW324.43 g/mol
LogP1.51
Rot. Bonds3

About 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one

3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 129475497) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID129475497
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@H](NC3Cc4ccccc4C3)C2)c1=O
InChIInChI=1S/C19H24N4O/c1-22-10-8-20-18(19(22)24)23-9-4-7-16(13-23)21-17-11-14-5-2-3-6-15(14)12-17/h2-3,5-6,8,10,16-17,21H,4,7,9,11-13H2,1H3/t16-/m0/s1
InChIKeyUAOVLXPZBQLNHT-INIZCTEOSA-N
XLogP1.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one (CID 129475497) is 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC[C@H](NC3Cc4ccccc4C3)C2)c1=O.
What is the InChIKey of 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is UAOVLXPZBQLNHT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-10-8-20-18(19(22)24)23-9-4-7-16(13-23)21-17-11-14-5-2-3-6-15(14)12-17/h2-3,5-6,8,10,16-17,21H,4,7,9,11-13H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 324.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 129475497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).