(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C15H26N2O3 — CID 9364888

IUPAC(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOC[C@H](C)N1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-11-5-4-6-16(8-11)15(19)13-7-14(18)17(9-13)12(2)10-20-3/h11-13H,4-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyKULDLKKOFXXDEQ-RWMBFGLXSA-N
MW282.38 g/mol
LogP1.13
Rot. Bonds4

About (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9364888) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9364888
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOC[C@H](C)N1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-11-5-4-6-16(8-11)15(19)13-7-14(18)17(9-13)12(2)10-20-3/h11-13H,4-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyKULDLKKOFXXDEQ-RWMBFGLXSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 9364888) is (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is COC[C@H](C)N1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O.
What is the InChIKey of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KULDLKKOFXXDEQ-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-5-4-6-16(8-11)15(19)13-7-14(18)17(9-13)12(2)10-20-3/h11-13H,4-10H2,1-3H3/t11-,12-,13+/m0/s1.
What are the key properties of (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9364888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).