N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide

C15H18FN7O2 — CID 56881494

IUPACN-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CNCCN1C(=O)CCn1cnnn1
InChIInChI=1S/C15H18FN7O2/c16-11-1-3-12(4-2-11)19-15(25)13-9-17-6-8-23(13)14(24)5-7-22-10-18-20-21-22/h1-4,10,13,17H,5-9H2,(H,19,25)
InChIKeySTPKIAKSDISCEX-UHFFFAOYSA-N
MW347.35 g/mol
LogP-0.36
Rot. Bonds5

About N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide

N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 56881494) has the molecular formula C15H18FN7O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
PubChem CID56881494
Molecular FormulaC15H18FN7O2
Molecular Weight347.35 g/mol
Exact Mass347.15
IUPAC NameN-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CNCCN1C(=O)CCn1cnnn1
InChIInChI=1S/C15H18FN7O2/c16-11-1-3-12(4-2-11)19-15(25)13-9-17-6-8-23(13)14(24)5-7-22-10-18-20-21-22/h1-4,10,13,17H,5-9H2,(H,19,25)
InChIKeySTPKIAKSDISCEX-UHFFFAOYSA-N
XLogP-0.36
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
CID 2959882
N-(4-fluorophenyl)-7-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 4976594
N-(4-fluorophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4886256
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
N-(2-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511818
2-Piperidin-1-yl-N-(3-tetrazol-1-yl-phenyl)-acetamide
CID 653916
1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 654097
N-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2985272
1-(4-fluorophenyl)-4-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24817494
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 52280991
N-(3-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511817
1-[4-(4-fluorophenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 4304418

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide (CID 56881494) is N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide is O=C(Nc1ccc(F)cc1)C1CNCCN1C(=O)CCn1cnnn1.
What is the InChIKey of N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is STPKIAKSDISCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN7O2/c16-11-1-3-12(4-2-11)19-15(25)13-9-17-6-8-23(13)14(24)5-7-22-10-18-20-21-22/h1-4,10,13,17H,5-9H2,(H,19,25).
What are the key properties of N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 347.35 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 56881494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).