6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one

C23H32N2O2 — CID 10474212

IUPAC6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCC1
InChIInChI=1S/C23H32N2O2/c1-24(19-8-5-9-19)16-20-7-2-3-13-25(20)23(27)15-17-11-12-21-18(14-17)6-4-10-22(21)26/h11-12,14,19-20H,2-10,13,15-16H2,1H3/t20-/m0/s1
InChIKeyWAGDYUJHDQNZLO-FQEVSTJZSA-N
MW368.52 g/mol
LogP3.61
Rot. Bonds5

About 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one

6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10474212) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10474212
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCC1
InChIInChI=1S/C23H32N2O2/c1-24(19-8-5-9-19)16-20-7-2-3-13-25(20)23(27)15-17-11-12-21-18(14-17)6-4-10-22(21)26/h11-12,14,19-20H,2-10,13,15-16H2,1H3/t20-/m0/s1
InChIKeyWAGDYUJHDQNZLO-FQEVSTJZSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10474212) is 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCC1.
What is the InChIKey of 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WAGDYUJHDQNZLO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-24(19-8-5-9-19)16-20-7-2-3-13-25(20)23(27)15-17-11-12-21-18(14-17)6-4-10-22(21)26/h11-12,14,19-20H,2-10,13,15-16H2,1H3/t20-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 368.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-[[cyclobutyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10474212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).