1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile

C17H20N2O — CID 49062477

IUPAC1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)C2CCCc3ccccc32)CC1
InChIInChI=1S/C17H20N2O/c18-12-13-8-10-19(11-9-13)17(20)16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,13,16H,3,5,7-11H2
InChIKeyDNNBZTWQLDKVJA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.87
Rot. Bonds1

About 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile

1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile (PubChem CID 49062477) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
PubChem CID49062477
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)C2CCCc3ccccc32)CC1
InChIInChI=1S/C17H20N2O/c18-12-13-8-10-19(11-9-13)17(20)16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,13,16H,3,5,7-11H2
InChIKeyDNNBZTWQLDKVJA-UHFFFAOYSA-N
XLogP2.87
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
(4,4-difluoropiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 139029214
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
[(3S)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119934524
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
(3-aminoazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63755635
(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 94416624
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile (CID 49062477) is 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)C2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile?
The InChIKey is DNNBZTWQLDKVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-12-13-8-10-19(11-9-13)17(20)16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,13,16H,3,5,7-11H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile?
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49062477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).