N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide

C19H20FN7O — CID 134788657

IUPACN-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C19H20FN7O/c1-14-7-8-15(13-17(14)20)21-19(28)26-11-9-25(10-12-26)18-22-23-24-27(18)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,28)
InChIKeyDUVNSRSRHAMTHI-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.46
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide (PubChem CID 134788657) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
PubChem CID134788657
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C19H20FN7O/c1-14-7-8-15(13-17(14)20)21-19(28)26-11-9-25(10-12-26)18-22-23-24-27(18)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,28)
InChIKeyDUVNSRSRHAMTHI-UHFFFAOYSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide (CID 134788657) is N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The InChIKey is DUVNSRSRHAMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-14-7-8-15(13-17(14)20)21-19(28)26-11-9-25(10-12-26)18-22-23-24-27(18)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,28).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134788657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).