N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide

C18H21N7O — CID 167767782

IUPACN-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCN(c3cncc4nnnn34)CC2)cc1
InChIInChI=1S/C18H21N7O/c1-13-3-5-15(6-4-13)23(2)18(26)14-7-9-24(10-8-14)17-12-19-11-16-20-21-22-25(16)17/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyVQOIFKIQFBRTBL-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide

N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide (PubChem CID 167767782) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide
PubChem CID167767782
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCN(c3cncc4nnnn34)CC2)cc1
InChIInChI=1S/C18H21N7O/c1-13-3-5-15(6-4-13)23(2)18(26)14-7-9-24(10-8-14)17-12-19-11-16-20-21-22-25(16)17/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyVQOIFKIQFBRTBL-UHFFFAOYSA-N
XLogP1.71
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide (CID 167767782) is N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide is Cc1ccc(N(C)C(=O)C2CCN(c3cncc4nnnn34)CC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide?
The InChIKey is VQOIFKIQFBRTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-3-5-15(6-4-13)23(2)18(26)14-7-9-24(10-8-14)17-12-19-11-16-20-21-22-25(16)17/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide?
N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167767782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).