3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

C17H21NO2 — CID 110677782

IUPAC3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCCN(C(=O)C2CC(=O)c3ccccc3C2)C1
InChIInChI=1S/C17H21NO2/c1-12-5-4-8-18(11-12)17(20)14-9-13-6-2-3-7-15(13)16(19)10-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3
InChIKeyYTMJEPAAQBXBND-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds1

About 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 110677782) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID110677782
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCCN(C(=O)C2CC(=O)c3ccccc3C2)C1
InChIInChI=1S/C17H21NO2/c1-12-5-4-8-18(11-12)17(20)14-9-13-6-2-3-7-15(13)16(19)10-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3
InChIKeyYTMJEPAAQBXBND-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677758
2-chloro-3-[4-[(3R)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]naphthalene-1,4-dione
CID 1477810
2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138381348
2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106703940
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677769
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one (CID 110677782) is 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one is CC1CCCN(C(=O)C2CC(=O)c3ccccc3C2)C1.
What is the InChIKey of 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YTMJEPAAQBXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-4-8-18(11-12)17(20)14-9-13-6-2-3-7-15(13)16(19)10-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3.
What are the key properties of 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one?
3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 271.36 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 110677782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).