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

C13H23N5O2 — CID 81337751

IUPACethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCCn1nnnc1CN1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H23N5O2/c1-3-7-18-12(14-15-16-18)10-17-8-5-6-11(9-17)13(19)20-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyCSLHTSCKOSLRSR-LLVKDONJSA-N
MW281.36 g/mol
LogP0.86
Rot. Bonds6

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

ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate (PubChem CID 81337751) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
PubChem CID81337751
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nameethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCCn1nnnc1CN1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H23N5O2/c1-3-7-18-12(14-15-16-18)10-17-8-5-6-11(9-17)13(19)20-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyCSLHTSCKOSLRSR-LLVKDONJSA-N
XLogP0.86
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885
ethyl 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 25247693
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
methyl (3S)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylate
CID 113331061
methyl 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylate
CID 115537106
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
ethyl (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 81361290
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate
CID 62176464

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate (CID 81337751) is ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate is CCCn1nnnc1CN1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
The InChIKey is CSLHTSCKOSLRSR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-7-18-12(14-15-16-18)10-17-8-5-6-11(9-17)13(19)20-4-2/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 81337751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).