2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide

C26H48N4O3 — CID 138685304

IUPAC2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C26H48N4O3/c1-7-21(8-2)28-24(31)17-20-9-12-29(13-10-20)26(33)23(16-19(5)6)30-14-11-27-22(25(30)32)15-18(3)4/h18-23,27H,7-17H2,1-6H3,(H,28,31)/t22-,23?/m0/s1
InChIKeyNFIRRRJNTHBOCW-NQCNTLBGSA-N
MW464.70 g/mol
LogP3.18
Rot. Bonds11

About 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide

2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide (PubChem CID 138685304) has the molecular formula C26H48N4O3 and a molecular weight of 464.70 g/mol. Its IUPAC name is 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide
PubChem CID138685304
Molecular FormulaC26H48N4O3
Molecular Weight464.70 g/mol
Exact Mass464.37
IUPAC Name2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C26H48N4O3/c1-7-21(8-2)28-24(31)17-20-9-12-29(13-10-20)26(33)23(16-19(5)6)30-14-11-27-22(25(30)32)15-18(3)4/h18-23,27H,7-17H2,1-6H3,(H,28,31)/t22-,23?/m0/s1
InChIKeyNFIRRRJNTHBOCW-NQCNTLBGSA-N
XLogP3.18
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide (CID 138685304) is 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.
What is the InChIKey of 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide?
The InChIKey is NFIRRRJNTHBOCW-NQCNTLBGSA-N. The full InChI is InChI=1S/C26H48N4O3/c1-7-21(8-2)28-24(31)17-20-9-12-29(13-10-20)26(33)23(16-19(5)6)30-14-11-27-22(25(30)32)15-18(3)4/h18-23,27H,7-17H2,1-6H3,(H,28,31)/t22-,23?/m0/s1.
What are the key properties of 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide?
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide has a molecular weight of 464.70 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 138685304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).