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

C14H24N2O3 — CID 94046017

IUPAC(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-11-4-3-5-16(9-11)14(18)12-8-13(17)15(10-12)6-7-19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyGTWSIPHZRPMSOU-NWDGAFQWSA-N
MW268.36 g/mol
LogP0.74
Rot. Bonds4

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

(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94046017) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID94046017
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-11-4-3-5-16(9-11)14(18)12-8-13(17)15(10-12)6-7-19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyGTWSIPHZRPMSOU-NWDGAFQWSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113185434
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
(4S)-4-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95737049
(4S)-1-(2-methoxyethyl)-4-[(3S)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95178640
1-(2-methoxyethyl)-4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 131904664
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 96512990
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119661649
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 94046017) is (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is COCCN1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GTWSIPHZRPMSOU-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-4-3-5-16(9-11)14(18)12-8-13(17)15(10-12)6-7-19-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94046017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).