(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone

C17H21NO — CID 145472029

IUPAC(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone
SMILESC=C1CCc2ccc(C(=O)N3CCCCC3)cc2C1
InChIInChI=1S/C17H21NO/c1-13-5-6-14-7-8-15(12-16(14)11-13)17(19)18-9-3-2-4-10-18/h7-8,12H,1-6,9-11H2
InChIKeyZIVDZEHNUDBRFR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.36
Rot. Bonds1

About (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone

(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone (PubChem CID 145472029) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone
PubChem CID145472029
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone
SMILESC=C1CCc2ccc(C(=O)N3CCCCC3)cc2C1
InChIInChI=1S/C17H21NO/c1-13-5-6-14-7-8-15(12-16(14)11-13)17(19)18-9-3-2-4-10-18/h7-8,12H,1-6,9-11H2
InChIKeyZIVDZEHNUDBRFR-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
cyclobutyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809284
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 119414334

Frequently Asked Questions

What is the IUPAC name of (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone (CID 145472029) is (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone is C=C1CCc2ccc(C(=O)N3CCCCC3)cc2C1.
What is the InChIKey of (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone?
The InChIKey is ZIVDZEHNUDBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-5-6-14-7-8-15(12-16(14)11-13)17(19)18-9-3-2-4-10-18/h7-8,12H,1-6,9-11H2.
What are the key properties of (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone?
(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone has a molecular weight of 255.36 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 145472029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).