1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone

C16H28N6O2 — CID 26394254

IUPAC1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
SMILESCOCC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C16H28N6O2/c1-24-11-7-14-6-2-3-10-21(14)16(23)13-22-15(17-18-19-22)12-20-8-4-5-9-20/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyYIKUOAJVPUDBME-AWEZNQCLSA-N
MW336.44 g/mol
LogP0.69
Rot. Bonds7

About 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone

1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 26394254) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID26394254
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
SMILESCOCC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C16H28N6O2/c1-24-11-7-14-6-2-3-10-21(14)16(23)13-22-15(17-18-19-22)12-20-8-4-5-9-20/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyYIKUOAJVPUDBME-AWEZNQCLSA-N
XLogP0.69
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-1-[2-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 77474029
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
ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate
CID 79309317
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one
CID 28685441
2-(5-ethyltetrazol-1-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 56821098
3-benzylsulfanyl-1-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 124750770
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
N-(1-methoxybutan-2-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 45200711
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 45236654

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone (CID 26394254) is 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone is COCC[C@@H]1CCCCN1C(=O)Cn1nnnc1CN1CCCC1.
What is the InChIKey of 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is YIKUOAJVPUDBME-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-24-11-7-14-6-2-3-10-21(14)16(23)13-22-15(17-18-19-22)12-20-8-4-5-9-20/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone?
1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 0.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 26394254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).