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

C22H30N2O2 — CID 10247575

IUPAC6-[2-[(2S)-2-[[cyclopropyl(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)C1CC1
InChIInChI=1S/C22H30N2O2/c1-23(18-9-10-18)15-19-6-2-3-12-24(19)22(26)14-16-8-11-20-17(13-16)5-4-7-21(20)25/h8,11,13,18-19H,2-7,9-10,12,14-15H2,1H3/t19-/m0/s1
InChIKeyLSWCXHNCEOKKBH-IBGZPJMESA-N
MW354.49 g/mol
LogP3.22
Rot. Bonds5

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

6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10247575) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10247575
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name6-[2-[(2S)-2-[[cyclopropyl(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)C1CC1
InChIInChI=1S/C22H30N2O2/c1-23(18-9-10-18)15-19-6-2-3-12-24(19)22(26)14-16-8-11-20-17(13-16)5-4-7-21(20)25/h8,11,13,18-19H,2-7,9-10,12,14-15H2,1H3/t19-/m0/s1
InChIKeyLSWCXHNCEOKKBH-IBGZPJMESA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.22
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-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10247575) is 6-[2-[(2S)-2-[[cyclopropyl(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-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[(2S)-2-[[cyclopropyl(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)C1CC1.
What is the InChIKey of 6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LSWCXHNCEOKKBH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(18-9-10-18)15-19-6-2-3-12-24(19)22(26)14-16-8-11-20-17(13-16)5-4-7-21(20)25/h8,11,13,18-19H,2-7,9-10,12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[(2S)-2-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 354.49 g/mol, XLogP of 3.22, 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-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10247575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).