methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate

C17H23N5O2 — CID 133444460

IUPACmethyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C17H23N5O2/c1-17(2,15(23)24-3)13-8-7-11-21(12-13)16-18-19-20-22(16)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3
InChIKeyGJJVYHQMEIMEQS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate

methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate (PubChem CID 133444460) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
PubChem CID133444460
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Namemethyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C17H23N5O2/c1-17(2,15(23)24-3)13-8-7-11-21(12-13)16-18-19-20-22(16)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3
InChIKeyGJJVYHQMEIMEQS-UHFFFAOYSA-N
XLogP2.08
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 133362403
N-(6-methyl-2-pyridinyl)-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
CID 47066462
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
CID 133444594
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate (CID 133444460) is methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate is COC(=O)C(C)(C)C1CCCN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate?
The InChIKey is GJJVYHQMEIMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,15(23)24-3)13-8-7-11-21(12-13)16-18-19-20-22(16)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate?
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate has a molecular weight of 329.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate is sourced from PubChem (CID 133444460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).