benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate

C22H29N5O3 — CID 69194574

IUPACbenzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(c2cnc(C(=O)N(C)C)cn2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H29N5O3/c1-16(2)19-14-26(20-13-23-18(12-24-20)21(28)25(3)4)10-11-27(19)22(29)30-15-17-8-6-5-7-9-17/h5-9,12-13,16,19H,10-11,14-15H2,1-4H3
InChIKeyCAHQGKAFJYCLPN-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.66
Rot. Bonds5

About benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate

benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate (PubChem CID 69194574) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate
PubChem CID69194574
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Namebenzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(c2cnc(C(=O)N(C)C)cn2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H29N5O3/c1-16(2)19-14-26(20-13-23-18(12-24-20)21(28)25(3)4)10-11-27(19)22(29)30-15-17-8-6-5-7-9-17/h5-9,12-13,16,19H,10-11,14-15H2,1-4H3
InChIKeyCAHQGKAFJYCLPN-UHFFFAOYSA-N
XLogP2.66
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate 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

methyl 5-(4-phenylmethoxycarbonyl-3-propan-2-ylpiperazin-1-yl)pyrazine-2-carboxylate
CID 69231823
benzyl (2S)-2-[dimethylamino(hydroxy)methyl]azetidine-1-carboxylate
CID 143448377
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
CID 115006762
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774
methyl 5-[3-propan-2-yl-4-(quinolin-5-ylcarbamothioyl)piperazin-1-yl]pyrazine-2-carboxylate
CID 59690270
benzyl (2S)-2-[(2S)-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 50899991
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 2-(1-hydroxybutyl)pyrrolidine-1-carboxylate
CID 56976616
benzyl (5R)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 166067676

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate (CID 69194574) is benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CN(c2cnc(C(=O)N(C)C)cn2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is CAHQGKAFJYCLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-16(2)19-14-26(20-13-23-18(12-24-20)21(28)25(3)4)10-11-27(19)22(29)30-15-17-8-6-5-7-9-17/h5-9,12-13,16,19H,10-11,14-15H2,1-4H3.
What are the key properties of benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate?
benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 411.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 69194574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).