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

C23H32N2O2 — CID 10067629

IUPAC6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(CC1CC1)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C23H32N2O2/c1-24(15-17-8-9-17)16-20-6-2-3-12-25(20)23(27)14-18-10-11-21-19(13-18)5-4-7-22(21)26/h10-11,13,17,20H,2-9,12,14-16H2,1H3/t20-/m0/s1
InChIKeyXHHPVFGTQYUZHG-FQEVSTJZSA-N
MW368.52 g/mol
LogP3.47
Rot. Bonds6

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

6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10067629) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10067629
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(CC1CC1)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C23H32N2O2/c1-24(15-17-8-9-17)16-20-6-2-3-12-25(20)23(27)14-18-10-11-21-19(13-18)5-4-7-22(21)26/h10-11,13,17,20H,2-9,12,14-16H2,1H3/t20-/m0/s1
InChIKeyXHHPVFGTQYUZHG-FQEVSTJZSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.47
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-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10067629) is 6-[2-[(2S)-2-[[cyclopropylmethyl(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-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is CN(CC1CC1)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XHHPVFGTQYUZHG-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-24(15-17-8-9-17)16-20-6-2-3-12-25(20)23(27)14-18-10-11-21-19(13-18)5-4-7-22(21)26/h10-11,13,17,20H,2-9,12,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[(2S)-2-[[cyclopropylmethyl(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 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10067629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).