2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

C20H34N4O4 — CID 55608155

IUPAC2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H34N4O4/c1-20(2,3)19(27)24-6-4-5-16(24)18(26)23-9-7-22(8-10-23)17(25)15-21-11-13-28-14-12-21/h16H,4-15H2,1-3H3
InChIKeyABRRBWUHSBTZAD-UHFFFAOYSA-N
MW394.52 g/mol
LogP0.03
Rot. Bonds3

About 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 55608155) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
PubChem CID55608155
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H34N4O4/c1-20(2,3)19(27)24-6-4-5-16(24)18(26)23-9-7-22(8-10-23)17(25)15-21-11-13-28-14-12-21/h16H,4-15H2,1-3H3
InChIKeyABRRBWUHSBTZAD-UHFFFAOYSA-N
XLogP0.03
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (CID 55608155) is 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ABRRBWUHSBTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-20(2,3)19(27)24-6-4-5-16(24)18(26)23-9-7-22(8-10-23)17(25)15-21-11-13-28-14-12-21/h16H,4-15H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 394.52 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 55608155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).