1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C16H19N7O2 — CID 70734150

IUPAC1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(CCn1cnnn1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C16H19N7O2/c24-14(5-8-23-11-17-20-21-23)22-9-6-16(7-10-22)15(25)18-12-3-1-2-4-13(12)19-16/h1-4,11,19H,5-10H2,(H,18,25)
InChIKeyKMZPMFGBFNRGHZ-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.49
Rot. Bonds3

About 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70734150) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70734150
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(CCn1cnnn1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C16H19N7O2/c24-14(5-8-23-11-17-20-21-23)22-9-6-16(7-10-22)15(25)18-12-3-1-2-4-13(12)19-16/h1-4,11,19H,5-10H2,(H,18,25)
InChIKeyKMZPMFGBFNRGHZ-UHFFFAOYSA-N
XLogP0.49
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 42925469
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 47024719
1-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-1-YL)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}butane-1,4-dione
CID 91908954
1-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-1-YL)-4-{3-[(4-phenyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}butane-1,4-dione
CID 91911883
N-(4-fluorophenyl)-2-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]acetamide
CID 31336271
N-(4-fluorophenyl)-2-[4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-1-yl]acetamide
CID 45909042
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-(tetrazol-1-yl)acetamide
CID 53584869
N-(4-fluorophenyl)-1-[3-(1H-tetrazol-1-yl)propanoyl]-2-piperazinecarboxamide
CID 56881494
(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 95706926
(2R)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 95706927
N-(4-fluorophenyl)-2-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 133719235
1-phenyl-4-(3-{1-[3-(1H-tetrazol-1-yl)propanoyl]-4-piperidinyl}propanoyl)piperazine
CID 42100636

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70734150) is 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C(CCn1cnnn1)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is KMZPMFGBFNRGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c24-14(5-8-23-11-17-20-21-23)22-9-6-16(7-10-22)15(25)18-12-3-1-2-4-13(12)19-16/h1-4,11,19H,5-10H2,(H,18,25).
What are the key properties of 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 341.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(tetrazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70734150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).