1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone

C18H19NO — CID 56755375

IUPAC1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)C1CCCNC1
InChIInChI=1S/C18H19NO/c20-18(14-4-2-10-19-11-14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13/h1,3,5,8-9,14,19H,2,4,6-7,10-11H2
InChIKeyLXHCQOSHQAVNBK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.12
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone

1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone (PubChem CID 56755375) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
PubChem CID56755375
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)C1CCCNC1
InChIInChI=1S/C18H19NO/c20-18(14-4-2-10-19-11-14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13/h1,3,5,8-9,14,19H,2,4,6-7,10-11H2
InChIKeyLXHCQOSHQAVNBK-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
1-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 42516122
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95721574
N-cyclopropyl-2-[(3R)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]acetamide
CID 95552342
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methanone
CID 25279419
1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171942315

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone (CID 56755375) is 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone is O=C(c1ccc2c3c(cccc13)CC2)C1CCCNC1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone?
The InChIKey is LXHCQOSHQAVNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(14-4-2-10-19-11-14)16-9-8-13-7-6-12-3-1-5-15(16)17(12)13/h1,3,5,8-9,14,19H,2,4,6-7,10-11H2.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone?
1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone is sourced from PubChem (CID 56755375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).