N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C20H22N6O2 — CID 3222675

IUPACN-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N6O2/c1-28-18-9-7-16(8-10-18)21-19(27)15-11-13-25(14-12-15)20-22-23-24-26(20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,27)
InChIKeyJWBIXTCXPYAOIR-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.53
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 3222675) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID3222675
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N6O2/c1-28-18-9-7-16(8-10-18)21-19(27)15-11-13-25(14-12-15)20-22-23-24-26(20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,27)
InChIKeyJWBIXTCXPYAOIR-UHFFFAOYSA-N
XLogP2.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 3222675) is N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is JWBIXTCXPYAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-18-9-7-16(8-10-18)21-19(27)15-11-13-25(14-12-15)20-22-23-24-26(20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,21,27).
What are the key properties of N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3222675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).