3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

C16H30ClN3O2 — CID 119558817

IUPAC3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NCCC1CCCNC1)N1CCCC1=O.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(2)15(19-10-4-6-14(19)20)16(21)18-9-7-13-5-3-8-17-11-13;/h12-13,15,17H,3-11H2,1-2H3,(H,18,21);1H
InChIKeyXASAKHYGZDZTDL-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.56
Rot. Bonds6

About 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119558817) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119558817
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NCCC1CCCNC1)N1CCCC1=O.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(2)15(19-10-4-6-14(19)20)16(21)18-9-7-13-5-3-8-17-11-13;/h12-13,15,17H,3-11H2,1-2H3,(H,18,21);1H
InChIKeyXASAKHYGZDZTDL-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535176
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
CID 119389775
4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
CID 119464087
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119556941
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119556569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (CID 119558817) is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is CC(C)C(C(=O)NCCC1CCCNC1)N1CCCC1=O.Cl.
What is the InChIKey of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is XASAKHYGZDZTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-12(2)15(19-10-4-6-14(19)20)16(21)18-9-7-13-5-3-8-17-11-13;/h12-13,15,17H,3-11H2,1-2H3,(H,18,21);1H.
What are the key properties of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119558817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).