N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

C21H27N5O2 — CID 42245676

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)cn1
InChIInChI=1S/C21H27N5O2/c1-16-13-24-18(14-23-16)15-25-20(27)12-19-21(28)22-9-11-26(19)10-5-8-17-6-3-2-4-7-17/h2-4,6-7,13-14,19H,5,8-12,15H2,1H3,(H,22,28)(H,25,27)/t19-/m0/s1
InChIKeyVLFLPRUJJCMTCP-IBGZPJMESA-N
MW381.48 g/mol
LogP1.22
Rot. Bonds8

About N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 42245676) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID42245676
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)cn1
InChIInChI=1S/C21H27N5O2/c1-16-13-24-18(14-23-16)15-25-20(27)12-19-21(28)22-9-11-26(19)10-5-8-17-6-3-2-4-7-17/h2-4,6-7,13-14,19H,5,8-12,15H2,1H3,(H,22,28)(H,25,27)/t19-/m0/s1
InChIKeyVLFLPRUJJCMTCP-IBGZPJMESA-N
XLogP1.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 42245676) is N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is VLFLPRUJJCMTCP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-13-24-18(14-23-16)15-25-20(27)12-19-21(28)22-9-11-26(19)10-5-8-17-6-3-2-4-7-17/h2-4,6-7,13-14,19H,5,8-12,15H2,1H3,(H,22,28)(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 42245676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).