4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

C20H23N7O — CID 47039545

IUPAC4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N7O/c1-16-7-8-18(27-15-21-23-24-27)13-19(16)22-20(28)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,28)
InChIKeyHCDWYSCXNLYIIG-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.32
Rot. Bonds4

About 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 47039545) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID47039545
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N7O/c1-16-7-8-18(27-15-21-23-24-27)13-19(16)22-20(28)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,28)
InChIKeyHCDWYSCXNLYIIG-UHFFFAOYSA-N
XLogP2.32
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 55780672
1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119047495
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 6470753
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697419
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 47039545) is 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is HCDWYSCXNLYIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-16-7-8-18(27-15-21-23-24-27)13-19(16)22-20(28)26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,28).
What are the key properties of 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47039545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).