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

C21H24N6O2 — CID 3222676

IUPACN-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-19-10-8-17(9-11-19)22-20(28)16-12-14-26(15-13-16)21-23-24-25-27(21)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,22,28)
InChIKeyZWXZFCRRFQRJPF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.92
Rot. Bonds6

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

N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 3222676) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID3222676
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-19-10-8-17(9-11-19)22-20(28)16-12-14-26(15-13-16)21-23-24-25-27(21)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,22,28)
InChIKeyZWXZFCRRFQRJPF-UHFFFAOYSA-N
XLogP2.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[(5-amino-1H-tetrazol-1-yl)acetyl](isobutyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide
CID 1044828
Butyramide, 2-[[2-(5-aminotetrazol-1-yl)acetyl]methylamino]-N-(4-methoxyphenyl)-2-methyl-
CID 3558870
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 644879
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1073205
N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 1455276
1-[[4-(difluoromethoxy)phenyl]methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 25396107
N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709045
N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2478154
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 645888
1-[4-[4-(1-Phenyltetrazol-5-yl)oxyphenyl]piperazin-1-yl]ethanone
CID 2541756
N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2998278

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 3222676) is N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is ZWXZFCRRFQRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-29-19-10-8-17(9-11-19)22-20(28)16-12-14-26(15-13-16)21-23-24-25-27(21)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,22,28).
What are the key properties of N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3222676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).