1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone

C23H23NO2 — CID 25279419

IUPAC1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2ccoc2)C1
InChIInChI=1S/C23H23NO2/c25-23(19-4-2-11-24(14-19)13-16-10-12-26-15-16)21-9-8-18-7-6-17-3-1-5-20(21)22(17)18/h1,3,5,8-10,12,15,19H,2,4,6-7,11,13-14H2/t19-/m1/s1
InChIKeyMHTKVKXIRZZGTA-LJQANCHMSA-N
MW345.44 g/mol
LogP4.63
Rot. Bonds4

About 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone

1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone (PubChem CID 25279419) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone
PubChem CID25279419
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2ccoc2)C1
InChIInChI=1S/C23H23NO2/c25-23(19-4-2-11-24(14-19)13-16-10-12-26-15-16)21-9-8-18-7-6-17-3-1-5-20(21)22(17)18/h1,3,5,8-10,12,15,19H,2,4,6-7,11,13-14H2/t19-/m1/s1
InChIKeyMHTKVKXIRZZGTA-LJQANCHMSA-N
XLogP4.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95556226
N-cyclopropyl-2-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]acetamide
CID 95552342
1,2-dihydroacenaphthylen-5-yl-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 45190197
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
4-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 25448612
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 42516122
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 42453776
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone (CID 25279419) is 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone is O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2ccoc2)C1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is MHTKVKXIRZZGTA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(19-4-2-11-24(14-19)13-16-10-12-26-15-16)21-9-8-18-7-6-17-3-1-5-20(21)22(17)18/h1,3,5,8-10,12,15,19H,2,4,6-7,11,13-14H2/t19-/m1/s1.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone?
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 345.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 25279419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).