methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate

C17H25N5O4 — CID 126483046

IUPACmethyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H25N5O4/c1-12(2)10-13(16(24)26-3)20-17(25)22-8-6-21(7-9-22)15(23)14-11-18-4-5-19-14/h4-5,11-13H,6-10H2,1-3H3,(H,20,25)/t13-/m0/s1
InChIKeyAKEDIPNBNZJJDP-ZDUSSCGKSA-N
MW363.42 g/mol
LogP0.53
Rot. Bonds5

About methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate

methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate (PubChem CID 126483046) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate
PubChem CID126483046
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Namemethyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H25N5O4/c1-12(2)10-13(16(24)26-3)20-17(25)22-8-6-21(7-9-22)15(23)14-11-18-4-5-19-14/h4-5,11-13H,6-10H2,1-3H3,(H,20,25)/t13-/m0/s1
InChIKeyAKEDIPNBNZJJDP-ZDUSSCGKSA-N
XLogP0.53
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate 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-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
methyl 4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoate
CID 3938457
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
methyl (2S)-2-[[4-[(4-methoxyphenyl)carbamoyl]piperazine-1-carbonyl]amino]-4-methylpentanoate
CID 126483001
(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 126482980
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
3-methoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547814
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
methyl 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-(pyrazine-2-carbonyl)piperidin-4-yl]phenyl]propanoate
CID 76599500
2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 105351139
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108534701

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate (CID 126483046) is methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate?
The InChIKey is AKEDIPNBNZJJDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-12(2)10-13(16(24)26-3)20-17(25)22-8-6-21(7-9-22)15(23)14-11-18-4-5-19-14/h4-5,11-13H,6-10H2,1-3H3,(H,20,25)/t13-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate?
methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate has a molecular weight of 363.42 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate is sourced from PubChem (CID 126483046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).