1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone

C15H27N7O — CID 125158868

IUPAC1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
SMILESCN1CCN(CC[C@@H]2CCCCN2C(=O)Cn2ncnn2)CC1
InChIInChI=1S/C15H27N7O/c1-19-8-10-20(11-9-19)7-5-14-4-2-3-6-21(14)15(23)12-22-17-13-16-18-22/h13-14H,2-12H2,1H3/t14-/m0/s1
InChIKeyXAIJEQLKBYHRDD-AWEZNQCLSA-N
MW321.43 g/mol
LogP-0.31
Rot. Bonds5

About 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone

1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone (PubChem CID 125158868) has the molecular formula C15H27N7O and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
PubChem CID125158868
Molecular FormulaC15H27N7O
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC Name1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
SMILESCN1CCN(CC[C@@H]2CCCCN2C(=O)Cn2ncnn2)CC1
InChIInChI=1S/C15H27N7O/c1-19-8-10-20(11-9-19)7-5-14-4-2-3-6-21(14)15(23)12-22-17-13-16-18-22/h13-14H,2-12H2,1H3/t14-/m0/s1
InChIKeyXAIJEQLKBYHRDD-AWEZNQCLSA-N
XLogP-0.31
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone with MolForge

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Related Compounds

1-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 125167922
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 125167186
1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412
(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
CID 51627761
2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
CID 126423639
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91793447
[2-(dimethylamino)-3-pyridinyl]-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 125169892
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
2-[2-(4-methylpiperazin-1-yl)ethyl]-N-(1-phenylcyclopropyl)piperidine-1-carboxamide
CID 121496338
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 97286609

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone?
The IUPAC name of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone (CID 125158868) is 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone is CN1CCN(CC[C@@H]2CCCCN2C(=O)Cn2ncnn2)CC1.
What is the InChIKey of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone?
The InChIKey is XAIJEQLKBYHRDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N7O/c1-19-8-10-20(11-9-19)7-5-14-4-2-3-6-21(14)15(23)12-22-17-13-16-18-22/h13-14H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone?
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone has a molecular weight of 321.43 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-(tetrazol-2-yl)ethanone is sourced from PubChem (CID 125158868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).