[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone

C11H21N3O — CID 104976372

IUPAC[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1CN(C(=O)N2CCCCC2)CCN1
InChIInChI=1S/C11H21N3O/c1-10-9-14(8-5-12-10)11(15)13-6-3-2-4-7-13/h10,12H,2-9H2,1H3/t10-/m0/s1
InChIKeyNZFKGVGPYHLORX-JTQLQIEISA-N
MW211.31 g/mol
LogP0.89
Rot. Bonds

About [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone

[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 104976372) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID104976372
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1CN(C(=O)N2CCCCC2)CCN1
InChIInChI=1S/C11H21N3O/c1-10-9-14(8-5-12-10)11(15)13-6-3-2-4-7-13/h10,12H,2-9H2,1H3/t10-/m0/s1
InChIKeyNZFKGVGPYHLORX-JTQLQIEISA-N
XLogP0.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 166607150
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426217

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone (CID 104976372) is [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone is C[C@H]1CN(C(=O)N2CCCCC2)CCN1.
What is the InChIKey of [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is NZFKGVGPYHLORX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O/c1-10-9-14(8-5-12-10)11(15)13-6-3-2-4-7-13/h10,12H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone?
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 211.31 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 104976372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).