1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide

C21H23N7O2 — CID 47033241

IUPAC1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H23N7O2/c1-27-19(24-25-26-27)15-7-5-11-18(13-15)23-21(30)28-12-6-8-16(14-28)20(29)22-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,22,29)(H,23,30)
InChIKeyWRLCZRICDJNZNM-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.76
Rot. Bonds4

About 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide

1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 47033241) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID47033241
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H23N7O2/c1-27-19(24-25-26-27)15-7-5-11-18(13-15)23-21(30)28-12-6-8-16(14-28)20(29)22-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,22,29)(H,23,30)
InChIKeyWRLCZRICDJNZNM-UHFFFAOYSA-N
XLogP2.76
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methyltetrazol-5-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46422022
4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 55699190
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 51960803
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide
CID 110196501
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide (CID 47033241) is 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide is Cn1nnnc1-c1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is WRLCZRICDJNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-27-19(24-25-26-27)15-7-5-11-18(13-15)23-21(30)28-12-6-8-16(14-28)20(29)22-17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,22,29)(H,23,30).
What are the key properties of 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide?
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 47033241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).