8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one

C19H26N2O2 — CID 172610154

IUPAC8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one
SMILESCc1cccc2c(=O)cc(CN3CCN(C)C[C@@H]3C(C)C)oc12
InChIInChI=1S/C19H26N2O2/c1-13(2)17-12-20(4)8-9-21(17)11-15-10-18(22)16-7-5-6-14(3)19(16)23-15/h5-7,10,13,17H,8-9,11-12H2,1-4H3/t17-/m1/s1
InChIKeyAFTFFIRSZQQKAN-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.87
Rot. Bonds3

About 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one

8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one (PubChem CID 172610154) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one
PubChem CID172610154
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one
SMILESCc1cccc2c(=O)cc(CN3CCN(C)C[C@@H]3C(C)C)oc12
InChIInChI=1S/C19H26N2O2/c1-13(2)17-12-20(4)8-9-21(17)11-15-10-18(22)16-7-5-6-14(3)19(16)23-15/h5-7,10,13,17H,8-9,11-12H2,1-4H3/t17-/m1/s1
InChIKeyAFTFFIRSZQQKAN-QGZVFWFLSA-N
XLogP2.87
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 75506916
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
4-methyl-6-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-3H-isoindol-1-one
CID 170038400
4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole
CID 75506914
2-(2-hydroxyphenyl)-8-methylchromen-4-one
CID 90123995
2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine
CID 119050260
4-hydroxy-8-methylchromen-2-one
CID 54676122
8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 19119100
2-butyl-6,8-dimethylchromen-4-one
CID 134911457
1-hydroxy-6-[[4,7,10-tris[(1-hydroxy-6-oxo-2-pyridinyl)methyl]-6-propan-2-yl-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridin-2-one
CID 171461095
[3-(8-methyl-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504575

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one?
The IUPAC name of 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one (CID 172610154) is 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one.
What is the SMILES notation for 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one?
The canonical SMILES for 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one is Cc1cccc2c(=O)cc(CN3CCN(C)C[C@@H]3C(C)C)oc12.
What is the InChIKey of 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one?
The InChIKey is AFTFFIRSZQQKAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)17-12-20(4)8-9-21(17)11-15-10-18(22)16-7-5-6-14(3)19(16)23-15/h5-7,10,13,17H,8-9,11-12H2,1-4H3/t17-/m1/s1.
What are the key properties of 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one?
8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one has a molecular weight of 314.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]chromen-4-one is sourced from PubChem (CID 172610154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).