ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate

C11H17N5O3 — CID 43406985

IUPACethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C11H17N5O3/c1-2-19-11(18)9-4-3-5-15(6-9)10(17)7-16-8-12-13-14-16/h8-9H,2-7H2,1H3
InChIKeyBKFWYQXVNFJIMK-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.53
Rot. Bonds4

About ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate (PubChem CID 43406985) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
PubChem CID43406985
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Nameethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C11H17N5O3/c1-2-19-11(18)9-4-3-5-15(6-9)10(17)7-16-8-12-13-14-16/h8-9H,2-7H2,1H3
InChIKeyBKFWYQXVNFJIMK-UHFFFAOYSA-N
XLogP-0.53
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate (CID 43406985) is ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is BKFWYQXVNFJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-19-11(18)9-4-3-5-15(6-9)10(17)7-16-8-12-13-14-16/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 43406985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).