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

C24H34N2O2 — CID 10022804

IUPAC6-[2-[(2S)-2-[[cyclopentyl(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)C1CCCC1
InChIInChI=1S/C24H34N2O2/c1-25(20-8-2-3-9-20)17-21-10-4-5-14-26(21)24(28)16-18-12-13-22-19(15-18)7-6-11-23(22)27/h12-13,15,20-21H,2-11,14,16-17H2,1H3/t21-/m0/s1
InChIKeyJKBDFLKCEUJIHY-NRFANRHFSA-N
MW382.55 g/mol
LogP4.00
Rot. Bonds5

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

6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10022804) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10022804
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name6-[2-[(2S)-2-[[cyclopentyl(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)C1CCCC1
InChIInChI=1S/C24H34N2O2/c1-25(20-8-2-3-9-20)17-21-10-4-5-14-26(21)24(28)16-18-12-13-22-19(15-18)7-6-11-23(22)27/h12-13,15,20-21H,2-11,14,16-17H2,1H3/t21-/m0/s1
InChIKeyJKBDFLKCEUJIHY-NRFANRHFSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.00
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-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10022804) is 6-[2-[(2S)-2-[[cyclopentyl(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-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[(2S)-2-[[cyclopentyl(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)C1CCCC1.
What is the InChIKey of 6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JKBDFLKCEUJIHY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-25(20-8-2-3-9-20)17-21-10-4-5-14-26(21)24(28)16-18-12-13-22-19(15-18)7-6-11-23(22)27/h12-13,15,20-21H,2-11,14,16-17H2,1H3/t21-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[(2S)-2-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 382.55 g/mol, XLogP of 4.00, 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-[[cyclopentyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10022804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).