[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C17H24N2O — CID 107125909

IUPAC[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCNC1CCCN(C(=O)C2CCc3ccccc3C2)C1
InChIInChI=1S/C17H24N2O/c1-18-16-7-4-10-19(12-16)17(20)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,15-16,18H,4,7-12H2,1H3
InChIKeyXMXCBGYMEOKBST-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.00
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107125909) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107125909
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCNC1CCCN(C(=O)C2CCc3ccccc3C2)C1
InChIInChI=1S/C17H24N2O/c1-18-16-7-4-10-19(12-16)17(20)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,15-16,18H,4,7-12H2,1H3
InChIKeyXMXCBGYMEOKBST-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126386
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
5-[3-(methylamino)piperidine-1-carbonyl]piperidin-2-one;hydrochloride
CID 119492394
[3-(bromomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127697
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126803
3-methyl-1-[3-[3-(methylamino)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one;hydrochloride
CID 119494032
[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
CID 119490657

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107125909) is [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is CNC1CCCN(C(=O)C2CCc3ccccc3C2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is XMXCBGYMEOKBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-16-7-4-10-19(12-16)17(20)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,15-16,18H,4,7-12H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107125909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).