2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide

C16H22N8O2 — CID 95729260

IUPAC2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCCc1nn[nH]n1
InChIInChI=1S/C16H22N8O2/c25-15(18-6-2-4-14-20-22-23-21-14)9-13-16(26)19-7-8-24(13)11-12-3-1-5-17-10-12/h1,3,5,10,13H,2,4,6-9,11H2,(H,18,25)(H,19,26)(H,20,21,22,23)/t13-/m1/s1
InChIKeyQNHMRXDFWGHVLN-CYBMUJFWSA-N
MW358.41 g/mol
LogP-0.97
Rot. Bonds8

About 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide

2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide (PubChem CID 95729260) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
PubChem CID95729260
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC Name2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCCc1nn[nH]n1
InChIInChI=1S/C16H22N8O2/c25-15(18-6-2-4-14-20-22-23-21-14)9-13-16(26)19-7-8-24(13)11-12-3-1-5-17-10-12/h1,3,5,10,13H,2,4,6-9,11H2,(H,18,25)(H,19,26)(H,20,21,22,23)/t13-/m1/s1
InChIKeyQNHMRXDFWGHVLN-CYBMUJFWSA-N
XLogP-0.97
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45211424
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45243840
2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 42457515
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide
CID 45186541
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 25275532
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95715258
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45224138

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide (CID 95729260) is 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide is O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCCCc1nn[nH]n1.
What is the InChIKey of 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
The InChIKey is QNHMRXDFWGHVLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N8O2/c25-15(18-6-2-4-14-20-22-23-21-14)9-13-16(26)19-7-8-24(13)11-12-3-1-5-17-10-12/h1,3,5,10,13H,2,4,6-9,11H2,(H,18,25)(H,19,26)(H,20,21,22,23)/t13-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide has a molecular weight of 358.41 g/mol, XLogP of -0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 95729260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).