N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide

C16H22N6O — CID 133274899

IUPACN-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nnnn2-c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N6O/c1-12-5-7-15(8-6-12)22-16(18-19-20-22)21-9-3-4-14(11-21)10-17-13(2)23/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,23)
InChIKeyFWFFMGOOPBWFMH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.32
Rot. Bonds4

About N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide

N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide (PubChem CID 133274899) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
PubChem CID133274899
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2nnnn2-c2ccc(C)cc2)C1
InChIInChI=1S/C16H22N6O/c1-12-5-7-15(8-6-12)22-16(18-19-20-22)21-9-3-4-14(11-21)10-17-13(2)23/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,23)
InChIKeyFWFFMGOOPBWFMH-UHFFFAOYSA-N
XLogP1.32
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435
N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 72904671
1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
CID 133279610
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-phenyl-1,4-oxazepane
CID 138998130

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide (CID 133274899) is N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2nnnn2-c2ccc(C)cc2)C1.
What is the InChIKey of N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide?
The InChIKey is FWFFMGOOPBWFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-5-7-15(8-6-12)22-16(18-19-20-22)21-9-3-4-14(11-21)10-17-13(2)23/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,23).
What are the key properties of N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide?
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133274899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).