[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

C19H23N3O3 — CID 95309511

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESCOc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H](n3ccnc3)C1)C2
InChIInChI=1S/C19H23N3O3/c1-24-17-6-2-4-14-10-15(12-25-18(14)17)19(23)21-8-3-5-16(11-21)22-9-7-20-13-22/h2,4,6-7,9,13,15-16H,3,5,8,10-12H2,1H3/t15-,16+/m0/s1
InChIKeyQWGQURRZEQIHKU-JKSUJKDBSA-N
MW341.41 g/mol
LogP2.31
Rot. Bonds3

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (PubChem CID 95309511) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
PubChem CID95309511
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESCOc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H](n3ccnc3)C1)C2
InChIInChI=1S/C19H23N3O3/c1-24-17-6-2-4-14-10-15(12-25-18(14)17)19(23)21-8-3-5-16(11-21)22-9-7-20-13-22/h2,4,6-7,9,13,15-16H,3,5,8,10-12H2,1H3/t15-,16+/m0/s1
InChIKeyQWGQURRZEQIHKU-JKSUJKDBSA-N
XLogP2.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone with MolForge

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Related Compounds

[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283159
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95349952
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
(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)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 74243509
2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137344339
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95569108
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92594770
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (CID 95309511) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H](n3ccnc3)C1)C2.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
The InChIKey is QWGQURRZEQIHKU-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-6-2-4-14-10-15(12-25-18(14)17)19(23)21-8-3-5-16(11-21)22-9-7-20-13-22/h2,4,6-7,9,13,15-16H,3,5,8,10-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is sourced from PubChem (CID 95309511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).