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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Related Compounds

N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 60621992
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 63390485
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
5-piperazin-1-yltetrazolo[1,5-a]pyrazine;dihydrochloride
CID 146049763
N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide
CID 145388998
N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30749176
5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
CID 104977511
N-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 146123959
[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine
CID 114961729
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456

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).