(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

C18H26N2O2 — CID 44565109

IUPAC(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccccc1[C@@H]1C[C@H](CN2CCCCC2)C(=O)N1C
InChIInChI=1S/C18H26N2O2/c1-19-16(15-8-4-5-9-17(15)22-2)12-14(18(19)21)13-20-10-6-3-7-11-20/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyYPESDYBKONJEGI-ZBFHGGJFSA-N
MW302.42 g/mol
LogP2.70
Rot. Bonds4

About (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (PubChem CID 44565109) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
PubChem CID44565109
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccccc1[C@@H]1C[C@H](CN2CCCCC2)C(=O)N1C
InChIInChI=1S/C18H26N2O2/c1-19-16(15-8-4-5-9-17(15)22-2)12-14(18(19)21)13-20-10-6-3-7-11-20/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyYPESDYBKONJEGI-ZBFHGGJFSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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AC-90179
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1-[4-[(2-Methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
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3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573197
(2-methoxyphenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489811
N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 2838671
(3-fluorophenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234807
N-benzyl-1-(2-methoxybenzyl)-N-methylpiperidine-3-carboxamide
CID 3237704

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (CID 44565109) is (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is COc1ccccc1[C@@H]1C[C@H](CN2CCCCC2)C(=O)N1C.
What is the InChIKey of (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is YPESDYBKONJEGI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-16(15-8-4-5-9-17(15)22-2)12-14(18(19)21)13-20-10-6-3-7-11-20/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 44565109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).