2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

C21H36N4O3 — CID 55376220

IUPAC2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C21H36N4O3/c1-21(2,3)20(28)25-10-6-17(7-11-25)19(27)24-14-12-22(13-15-24)16-18(26)23-8-4-5-9-23/h17H,4-16H2,1-3H3
InChIKeyPTLZRWUYHYTWJX-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.04
Rot. Bonds3

About 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 55376220) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID55376220
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C21H36N4O3/c1-21(2,3)20(28)25-10-6-17(7-11-25)19(27)24-14-12-22(13-15-24)16-18(26)23-8-4-5-9-23/h17H,4-16H2,1-3H3
InChIKeyPTLZRWUYHYTWJX-UHFFFAOYSA-N
XLogP1.04
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 55376220) is 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is PTLZRWUYHYTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-21(2,3)20(28)25-10-6-17(7-11-25)19(27)24-14-12-22(13-15-24)16-18(26)23-8-4-5-9-23/h17H,4-16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 392.54 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55376220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).