[(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

C21H27N3O4 — CID 97273167

IUPAC[(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
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(c3nc(C(C)C)no3)CC1)C2
InChIInChI=1S/C21H27N3O4/c1-13(2)19-22-20(28-23-19)14-6-8-24(9-7-14)21(25)16-10-15-4-5-17(26-3)11-18(15)27-12-16/h4-5,11,13-14,16H,6-10,12H2,1-3H3/t16-/m0/s1
InChIKeyNQKYUGYQWXLCKH-INIZCTEOSA-N
MW385.46 g/mol
LogP3.16
Rot. Bonds4

About [(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

[(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 (PubChem CID 97273167) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID97273167
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[(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
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(c3nc(C(C)C)no3)CC1)C2
InChIInChI=1S/C21H27N3O4/c1-13(2)19-22-20(28-23-19)14-6-8-24(9-7-14)21(25)16-10-15-4-5-17(26-3)11-18(15)27-12-16/h4-5,11,13-14,16H,6-10,12H2,1-3H3/t16-/m0/s1
InChIKeyNQKYUGYQWXLCKH-INIZCTEOSA-N
XLogP3.16
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 119375217
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155503006
5-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 100677731
6-[4-(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 49162584
(2-bromo-5-methoxyphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098421
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728
(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
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95349952
[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92615489
2-(4-methoxyphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121098540
3,4-dihydro-2H-chromen-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154833769

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(c3nc(C(C)C)no3)CC1)C2.
What is the InChIKey of [(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?
The InChIKey is NQKYUGYQWXLCKH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-13(2)19-22-20(28-23-19)14-6-8-24(9-7-14)21(25)16-10-15-4-5-17(26-3)11-18(15)27-12-16/h4-5,11,13-14,16H,6-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 385.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 97273167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).