4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one

C22H24N2O4 — CID 96573246

IUPAC4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1cccc2c1OC[C@H](C(=O)N1CCN(c3ccc(C)cc3)C(=O)C1)C2
InChIInChI=1S/C22H24N2O4/c1-15-6-8-18(9-7-15)24-11-10-23(13-20(24)25)22(26)17-12-16-4-3-5-19(27-2)21(16)28-14-17/h3-9,17H,10-14H2,1-2H3/t17-/m1/s1
InChIKeyKVOZYCJAKYAZHL-QGZVFWFLSA-N
MW380.44 g/mol
LogP2.43
Rot. Bonds3

About 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one

4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96573246) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID96573246
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1cccc2c1OC[C@H](C(=O)N1CCN(c3ccc(C)cc3)C(=O)C1)C2
InChIInChI=1S/C22H24N2O4/c1-15-6-8-18(9-7-15)24-11-10-23(13-20(24)25)22(26)17-12-16-4-3-5-19(27-2)21(16)28-14-17/h3-9,17H,10-14H2,1-2H3/t17-/m1/s1
InChIKeyKVOZYCJAKYAZHL-QGZVFWFLSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one with MolForge

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Related Compounds

(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 95193293
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137344339
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779
(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 126806775
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 72871709
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170509426
7-[(3S)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136804297
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95202129
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 74243509
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283159

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one (CID 96573246) is 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one is COc1cccc2c1OC[C@H](C(=O)N1CCN(c3ccc(C)cc3)C(=O)C1)C2.
What is the InChIKey of 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is KVOZYCJAKYAZHL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-6-8-18(9-7-15)24-11-10-23(13-20(24)25)22(26)17-12-16-4-3-5-19(27-2)21(16)28-14-17/h3-9,17H,10-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 380.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96573246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).