(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one

C25H32N2O3 — CID 42323302

IUPAC(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C25H32N2O3/c1-30-18-21-10-4-5-16-27(21)24(29)13-15-25(14-12-23(28)26-25)17-20-9-6-8-19-7-2-3-11-22(19)20/h2-3,6-9,11,21H,4-5,10,12-18H2,1H3,(H,26,28)/t21-,25-/m0/s1
InChIKeyQLHDMCHZAMLVPB-OFVILXPXSA-N
MW408.54 g/mol
LogP3.84
Rot. Bonds7

About (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one

(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one (PubChem CID 42323302) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
PubChem CID42323302
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C25H32N2O3/c1-30-18-21-10-4-5-16-27(21)24(29)13-15-25(14-12-23(28)26-25)17-20-9-6-8-19-7-2-3-11-22(19)20/h2-3,6-9,11,21H,4-5,10,12-18H2,1H3,(H,26,28)/t21-,25-/m0/s1
InChIKeyQLHDMCHZAMLVPB-OFVILXPXSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
CID 42407319
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45179155
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
ethyl 2-[1-[3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidin-2-yl]acetate
CID 45233964
(5S)-5-[3-[4-[(R)-hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42172036
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 104687535
N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26277274
methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
CID 126463204
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45219444
(5S)-5-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42372930
1-[(3-fluorophenyl)methyl]-4-[3-[(2R)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperazin-2-one
CID 26354408

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one (CID 42323302) is (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one is COC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1.
What is the InChIKey of (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is QLHDMCHZAMLVPB-OFVILXPXSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-30-18-21-10-4-5-16-27(21)24(29)13-15-25(14-12-23(28)26-25)17-20-9-6-8-19-7-2-3-11-22(19)20/h2-3,6-9,11,21H,4-5,10,12-18H2,1H3,(H,26,28)/t21-,25-/m0/s1.
What are the key properties of (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one?
(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 408.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 42323302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).