4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one

C21H29N3O3 — CID 113190000

IUPAC4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3N3CCOCC3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-16-5-4-8-23(14-16)21(26)17-13-20(25)24(15-17)19-7-3-2-6-18(19)22-9-11-27-12-10-22/h2-3,6-7,16-17H,4-5,8-15H2,1H3
InChIKeyOEUMJRXNXLLIIP-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.13
Rot. Bonds3

About 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one

4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 113190000) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID113190000
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3N3CCOCC3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-16-5-4-8-23(14-16)21(26)17-13-20(25)24(15-17)19-7-3-2-6-18(19)22-9-11-27-12-10-22/h2-3,6-7,16-17H,4-5,8-15H2,1H3
InChIKeyOEUMJRXNXLLIIP-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113189959
methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 26615613
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190755
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113191614
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 113190000) is 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one is CC1CCCN(C(=O)C2CC(=O)N(c3ccccc3N3CCOCC3)C2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is OEUMJRXNXLLIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-5-4-8-23(14-16)21(26)17-13-20(25)24(15-17)19-7-3-2-6-18(19)22-9-11-27-12-10-22/h2-3,6-7,16-17H,4-5,8-15H2,1H3.
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113190000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).