(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O2 — CID 98881750

IUPAC(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](C)C3)CC(=O)N2C)cc1
InChIInChI=1S/C19H26N2O2/c1-13-6-8-15(9-7-13)18-16(11-17(22)20(18)3)19(23)21-10-4-5-14(2)12-21/h6-9,14,16,18H,4-5,10-12H2,1-3H3/t14-,16+,18-/m1/s1
InChIKeyYTJPHJQZSFEKPW-UWWQBHOKSA-N
MW314.43 g/mol
LogP2.77
Rot. Bonds2

About (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 98881750) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID98881750
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](C)C3)CC(=O)N2C)cc1
InChIInChI=1S/C19H26N2O2/c1-13-6-8-15(9-7-13)18-16(11-17(22)20(18)3)19(23)21-10-4-5-14(2)12-21/h6-9,14,16,18H,4-5,10-12H2,1-3H3/t14-,16+,18-/m1/s1
InChIKeyYTJPHJQZSFEKPW-UWWQBHOKSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 98881750) is (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](C)C3)CC(=O)N2C)cc1.
What is the InChIKey of (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YTJPHJQZSFEKPW-UWWQBHOKSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-6-8-15(9-7-13)18-16(11-17(22)20(18)3)19(23)21-10-4-5-14(2)12-21/h6-9,14,16,18H,4-5,10-12H2,1-3H3/t14-,16+,18-/m1/s1.
What are the key properties of (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 98881750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).