[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

C19H23N3O3 — CID 95349952

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H](n3ccnc3)C1)C2
InChIInChI=1S/C19H23N3O3/c1-24-17-5-4-14-9-15(12-25-18(14)10-17)19(23)21-7-2-3-16(11-21)22-8-6-20-13-22/h4-6,8,10,13,15-16H,2-3,7,9,11-12H2,1H3/t15-,16+/m0/s1
InChIKeyUMLXPXDQHALHEK-JKSUJKDBSA-N
MW341.41 g/mol
LogP2.31
Rot. Bonds3

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (PubChem CID 95349952) 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)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
PubChem CID95349952
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H](n3ccnc3)C1)C2
InChIInChI=1S/C19H23N3O3/c1-24-17-5-4-14-9-15(12-25-18(14)10-17)19(23)21-7-2-3-16(11-21)22-8-6-20-13-22/h4-6,8,10,13,15-16H,2-3,7,9,11-12H2,1H3/t15-,16+/m0/s1
InChIKeyUMLXPXDQHALHEK-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)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone with MolForge

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Related Compounds

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95309511
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341019
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95286989
(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397224
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95313053
(3S)-7-methoxy-N-[(3R)-1-methylpiperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99103194
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97273167
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 119375217
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 56778292
N-(2-aminoethyl)-1-(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxamide
CID 119481076
[(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 [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (CID 95349952) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H](n3ccnc3)C1)C2.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
The InChIKey is UMLXPXDQHALHEK-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-5-4-14-9-15(12-25-18(14)10-17)19(23)21-7-2-3-16(11-21)22-8-6-20-13-22/h4-6,8,10,13,15-16H,2-3,7,9,11-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-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)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is sourced from PubChem (CID 95349952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).