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

C26H48N4O3 — CID 138685784

IUPACN-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide
SMILESCC(C)CCN(C)C(=O)CC1CCN(C(=O)[C@H](C(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C26H48N4O3/c1-18(2)8-12-28(7)23(31)17-21-9-13-29(14-10-21)26(33)24(20(5)6)30-15-11-27-22(25(30)32)16-19(3)4/h18-22,24,27H,8-17H2,1-7H3/t22-,24-/m0/s1
InChIKeyZSUCZXFTYDOYDK-UPVQGACJSA-N
MW464.70 g/mol
LogP2.99
Rot. Bonds10

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

N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide (PubChem CID 138685784) has the molecular formula C26H48N4O3 and a molecular weight of 464.70 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide
PubChem CID138685784
Molecular FormulaC26H48N4O3
Molecular Weight464.70 g/mol
Exact Mass464.37
IUPAC NameN-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide
SMILESCC(C)CCN(C)C(=O)CC1CCN(C(=O)[C@H](C(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1
InChIInChI=1S/C26H48N4O3/c1-18(2)8-12-28(7)23(31)17-21-9-13-29(14-10-21)26(33)24(20(5)6)30-15-11-27-22(25(30)32)16-19(3)4/h18-22,24,27H,8-17H2,1-7H3/t22-,24-/m0/s1
InChIKeyZSUCZXFTYDOYDK-UPVQGACJSA-N
XLogP2.99
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-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

Related Compounds

2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide
CID 138685410
N-methyl-N-(3-methylbutyl)-2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]propanamide
CID 138685889
N-ethyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
CID 155164424
2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 138685942
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
N-cyclohexyl-N-ethyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685349
N-(3-methylbutan-2-yl)-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685933
(3S)-1-[4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685320
propan-2-yl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate
CID 138749176
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685835
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685836
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide (CID 138685784) is N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide is CC(C)CCN(C)C(=O)CC1CCN(C(=O)[C@H](C(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide?
The InChIKey is ZSUCZXFTYDOYDK-UPVQGACJSA-N. The full InChI is InChI=1S/C26H48N4O3/c1-18(2)8-12-28(7)23(31)17-21-9-13-29(14-10-21)26(33)24(20(5)6)30-15-11-27-22(25(30)32)16-19(3)4/h18-22,24,27H,8-17H2,1-7H3/t22-,24-/m0/s1.
What are the key properties of N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide?
N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide has a molecular weight of 464.70 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 138685784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).