1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

C25H30N2O3 — CID 42516122

IUPAC1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1
InChIInChI=1S/C25H30N2O3/c28-23(12-15-27-14-1-2-16-30-27)26-13-4-6-20(17-26)25(29)22-11-10-19-9-8-18-5-3-7-21(22)24(18)19/h3,5,7,10-11,20H,1-2,4,6,8-9,12-17H2/t20-/m1/s1
InChIKeyYIVDUBAKLDGSOM-HXUWFJFHSA-N
MW406.53 g/mol
LogP3.78
Rot. Bonds5

About 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (PubChem CID 42516122) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
PubChem CID42516122
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1
InChIInChI=1S/C25H30N2O3/c28-23(12-15-27-14-1-2-16-30-27)26-13-4-6-20(17-26)25(29)22-11-10-19-9-8-18-5-3-7-21(22)24(18)19/h3,5,7,10-11,20H,1-2,4,6,8-9,12-17H2/t20-/m1/s1
InChIKeyYIVDUBAKLDGSOM-HXUWFJFHSA-N
XLogP3.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42217114
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 42197160
1-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 45172362
1-[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42305900
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
CID 82646222
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42507853
[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 42453776

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (CID 42516122) is 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1.
What is the InChIKey of 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The InChIKey is YIVDUBAKLDGSOM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-23(12-15-27-14-1-2-16-30-27)26-13-4-6-20(17-26)25(29)22-11-10-19-9-8-18-5-3-7-21(22)24(18)19/h3,5,7,10-11,20H,1-2,4,6,8-9,12-17H2/t20-/m1/s1.
What are the key properties of 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one has a molecular weight of 406.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is sourced from PubChem (CID 42516122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).