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

C27H50N4O3 — CID 138685787

IUPAC2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)CC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C27H50N4O3/c1-18(2)14-21(7)29-25(32)17-22-8-11-30(12-9-22)27(34)24(16-20(5)6)31-13-10-28-23(26(31)33)15-19(3)4/h18-24,28H,8-17H2,1-7H3,(H,29,32)/t21?,23-,24?/m0/s1
InChIKeyCNSCWUAINLZKBO-RZMWZJFBSA-N
MW478.72 g/mol
LogP3.43
Rot. Bonds11

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

2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide (PubChem CID 138685787) has the molecular formula C27H50N4O3 and a molecular weight of 478.72 g/mol. Its IUPAC name is 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide
PubChem CID138685787
Molecular FormulaC27H50N4O3
Molecular Weight478.72 g/mol
Exact Mass478.39
IUPAC Name2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)CC1CCN(C(=O)C(CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C27H50N4O3/c1-18(2)14-21(7)29-25(32)17-22-8-11-30(12-9-22)27(34)24(16-20(5)6)31-13-10-28-23(26(31)33)15-19(3)4/h18-24,28H,8-17H2,1-7H3,(H,29,32)/t21?,23-,24?/m0/s1
InChIKeyCNSCWUAINLZKBO-RZMWZJFBSA-N
XLogP3.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.72
LogP ≤ 53.43
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-(4-methylpentan-2-yl)acetamide 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-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide (CID 138685787) is 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide is CC(C)CC(C)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-(4-methylpentan-2-yl)acetamide?
The InChIKey is CNSCWUAINLZKBO-RZMWZJFBSA-N. The full InChI is InChI=1S/C27H50N4O3/c1-18(2)14-21(7)29-25(32)17-22-8-11-30(12-9-22)27(34)24(16-20(5)6)31-13-10-28-23(26(31)33)15-19(3)4/h18-24,28H,8-17H2,1-7H3,(H,29,32)/t21?,23-,24?/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-(4-methylpentan-2-yl)acetamide?
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 478.72 g/mol, XLogP of 3.43, 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-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 138685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).