2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

C14H24N6O2 — CID 42565238

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCCCCC1)N1CC[C@@H](O)C1
InChIInChI=1S/C14H24N6O2/c21-12-5-8-19(9-12)14(22)11-20-13(15-16-17-20)10-18-6-3-1-2-4-7-18/h12,21H,1-11H2/t12-/m1/s1
InChIKeyGFOQWZYZPFEWEY-GFCCVEGCSA-N
MW308.39 g/mol
LogP-0.36
Rot. Bonds4

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 42565238) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID42565238
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCCCCC1)N1CC[C@@H](O)C1
InChIInChI=1S/C14H24N6O2/c21-12-5-8-19(9-12)14(22)11-20-13(15-16-17-20)10-18-6-3-1-2-4-7-18/h12,21H,1-11H2/t12-/m1/s1
InChIKeyGFOQWZYZPFEWEY-GFCCVEGCSA-N
XLogP-0.36
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 45236654
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 45222283
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]acetamide
CID 45181738
ethyl 4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 42401938
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 45172808
1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 26394254
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 72901532
(3S)-N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 26329166
N,N-diethyl-1-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 45231705
methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-methylamino]acetate
CID 26326057

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (CID 42565238) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is O=C(Cn1nnnc1CN1CCCCCC1)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is GFOQWZYZPFEWEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N6O2/c21-12-5-8-19(9-12)14(22)11-20-13(15-16-17-20)10-18-6-3-1-2-4-7-18/h12,21H,1-11H2/t12-/m1/s1.
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 308.39 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 42565238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).