1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C21H28N4O4 — CID 43038526

IUPAC1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C21H28N4O4/c26-19-2-1-7-25(19)18-5-3-17(4-6-18)21(28)24-10-8-23(9-11-24)20(27)16-22-12-14-29-15-13-22/h3-6H,1-2,7-16H2
InChIKeyRWSKBUMZWMDKQT-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.43
Rot. Bonds4

About 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 43038526) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID43038526
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C21H28N4O4/c26-19-2-1-7-25(19)18-5-3-17(4-6-18)21(28)24-10-8-23(9-11-24)20(27)16-22-12-14-29-15-13-22/h3-6H,1-2,7-16H2
InChIKeyRWSKBUMZWMDKQT-UHFFFAOYSA-N
XLogP0.43
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidin-2-one
CID 55748028
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7446641
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32771555
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 43038526) is 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is RWSKBUMZWMDKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c26-19-2-1-7-25(19)18-5-3-17(4-6-18)21(28)24-10-8-23(9-11-24)20(27)16-22-12-14-29-15-13-22/h3-6H,1-2,7-16H2.
What are the key properties of 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 400.48 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43038526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).