4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide

C20H37N5O2 — CID 86999047

IUPAC4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC(C)(C)N1
InChIInChI=1S/C20H37N5O2/c1-19(2)13-16(14-20(3,4)22-19)21-18(27)25-11-9-23(10-12-25)15-17(26)24-7-5-6-8-24/h16,22H,5-15H2,1-4H3,(H,21,27)
InChIKeyKSMXSYXFAWKKBZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP1.25
Rot. Bonds3

About 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide

4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 86999047) has the molecular formula C20H37N5O2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID86999047
Molecular FormulaC20H37N5O2
Molecular Weight379.55 g/mol
Exact Mass379.29
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC(C)(C)N1
InChIInChI=1S/C20H37N5O2/c1-19(2)13-16(14-20(3,4)22-19)21-18(27)25-11-9-23(10-12-25)15-17(26)24-7-5-6-8-24/h16,22H,5-15H2,1-4H3,(H,21,27)
InChIKeyKSMXSYXFAWKKBZ-UHFFFAOYSA-N
XLogP1.25
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide
CID 113353990
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
CID 123999459
4-(propylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86984564
1-(azepan-1-yl)-2-[4-(3,5-dimethyladamantane-1-carbonyl)piperazin-1-yl]ethanone
CID 112799001
(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 99593545
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916127
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
3-methylsulfanyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 9117242
2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide (CID 86999047) is 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide is CC1(C)CC(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC(C)(C)N1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is KSMXSYXFAWKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2/c1-19(2)13-16(14-20(3,4)22-19)21-18(27)25-11-9-23(10-12-25)15-17(26)24-7-5-6-8-24/h16,22H,5-15H2,1-4H3,(H,21,27).
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 86999047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).