4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one

C17H21N5O3 — CID 139019625

IUPAC4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one
SMILESCOc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
InChIInChI=1S/C17H21N5O3/c1-24-13-2-3-16-14(8-13)15(4-7-25-16)22-10-12(19-20-22)9-21-6-5-18-17(23)11-21/h2-3,8,10,15H,4-7,9,11H2,1H3,(H,18,23)/t15-/m1/s1
InChIKeyBTOQIOUVKSHYGO-OAHLLOKOSA-N
MW343.39 g/mol
LogP0.59
Rot. Bonds4

About 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one

4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 139019625) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID139019625
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one
SMILESCOc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2
InChIInChI=1S/C17H21N5O3/c1-24-13-2-3-16-14(8-13)15(4-7-25-16)22-10-12(19-20-22)9-21-6-5-18-17(23)11-21/h2-3,8,10,15H,4-7,9,11H2,1H3,(H,18,23)/t15-/m1/s1
InChIKeyBTOQIOUVKSHYGO-OAHLLOKOSA-N
XLogP0.59
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]piperazin-2-one
CID 139019658
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
8-(4-methoxyphenyl)-6-methyl-2-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-one
CID 134810499
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
CID 3067672
4-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154885995
4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
CID 139019667
methyl 2-amino-3-[1-[7-[(4-fluoropiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]propanoate
CID 69330482
4-(7-methoxynaphthalen-2-yl)sulfonyl-3-[[1-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]-1,3-dihydropyrazin-2-one
CID 11614224
7-methoxy-4-[(2-methoxypyrimidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 136545789
4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
CID 118632989
4-[[3-[1H-indazol-6-ylmethyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167465202

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one (CID 139019625) is 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one is COc1ccc2c(c1)[C@H](n1cc(CN3CCNC(=O)C3)nn1)CCO2.
What is the InChIKey of 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is BTOQIOUVKSHYGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-13-2-3-16-14(8-13)15(4-7-25-16)22-10-12(19-20-22)9-21-6-5-18-17(23)11-21/h2-3,8,10,15H,4-7,9,11H2,1H3,(H,18,23)/t15-/m1/s1.
What are the key properties of 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one has a molecular weight of 343.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4R)-6-methoxy-3,4-dihydro-2H-chromen-4-yl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 139019625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).