4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide

C20H23N7O — CID 118761754

IUPAC4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc(-n4nnnc4C)cc3)CC2)c1
InChIInChI=1S/C20H23N7O/c1-15-4-3-5-19(14-15)25-10-12-26(13-11-25)20(28)21-17-6-8-18(9-7-17)27-16(2)22-23-24-27/h3-9,14H,10-13H2,1-2H3,(H,21,28)
InChIKeySTJNBYAMCIQFFR-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.63
Rot. Bonds3

About 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide

4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 118761754) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID118761754
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc(-n4nnnc4C)cc3)CC2)c1
InChIInChI=1S/C20H23N7O/c1-15-4-3-5-19(14-15)25-10-12-26(13-11-25)20(28)21-17-6-8-18(9-7-17)27-16(2)22-23-24-27/h3-9,14H,10-13H2,1-2H3,(H,21,28)
InChIKeySTJNBYAMCIQFFR-UHFFFAOYSA-N
XLogP2.63
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 154738743
(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97286410
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 118761754) is 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3ccc(-n4nnnc4C)cc3)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is STJNBYAMCIQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-15-4-3-5-19(14-15)25-10-12-26(13-11-25)20(28)21-17-6-8-18(9-7-17)27-16(2)22-23-24-27/h3-9,14H,10-13H2,1-2H3,(H,21,28).
What are the key properties of 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 118761754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).