N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C18H27N3O5 — CID 95724218

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C18H27N3O5/c1-13-4-2-3-5-14(13)9-21-7-6-19-17(26)15(21)8-16(25)20-18(10-22,11-23)12-24/h2-5,15,22-24H,6-12H2,1H3,(H,19,26)(H,20,25)/t15-/m0/s1
InChIKeyHNLUMIOFNNLMRF-HNNXBMFYSA-N
MW365.43 g/mol
LogP-1.48
Rot. Bonds8

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95724218) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID95724218
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C18H27N3O5/c1-13-4-2-3-5-14(13)9-21-7-6-19-17(26)15(21)8-16(25)20-18(10-22,11-23)12-24/h2-5,15,22-24H,6-12H2,1H3,(H,19,26)(H,20,25)/t15-/m0/s1
InChIKeyHNLUMIOFNNLMRF-HNNXBMFYSA-N
XLogP-1.48
TPSA122.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-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

Related Compounds

N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24792111
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 952252
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95717377
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 95728501
N-[(4-chlorophenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45187128
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45212622
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
N-(cyclohexen-1-ylmethyl)-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 125156254
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 126428738
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 126444704
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 126433486

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 95724218) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is HNLUMIOFNNLMRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-13-4-2-3-5-14(13)9-21-7-6-19-17(26)15(21)8-16(25)20-18(10-22,11-23)12-24/h2-5,15,22-24H,6-12H2,1H3,(H,19,26)(H,20,25)/t15-/m0/s1.
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of -1.48, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95724218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).