ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate

C16H21N5O2 — CID 31314529

IUPACethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C16H21N5O2/c1-2-23-16(22)13-7-6-10-20(11-13)12-15-17-18-19-21(15)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3/t13-/m1/s1
InChIKeyQLHSLDTYHHJQDU-CYBMUJFWSA-N
MW315.38 g/mol
LogP1.44
Rot. Bonds5

About ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate

ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate (PubChem CID 31314529) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
PubChem CID31314529
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Nameethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C16H21N5O2/c1-2-23-16(22)13-7-6-10-20(11-13)12-15-17-18-19-21(15)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3/t13-/m1/s1
InChIKeyQLHSLDTYHHJQDU-CYBMUJFWSA-N
XLogP1.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917289
ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 81337751
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate
CID 60602109
ethyl 4-oxo-4-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butanoate
CID 30936106
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate (CID 31314529) is ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1.
What is the InChIKey of ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
The InChIKey is QLHSLDTYHHJQDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-23-16(22)13-7-6-10-20(11-13)12-15-17-18-19-21(15)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 31314529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).