[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone

C16H27N3O3 — CID 120617558

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C3CCCO3)CC2)CCN1
InChIInChI=1S/C16H27N3O3/c1-12-11-13(4-5-17-12)15(20)18-6-8-19(9-7-18)16(21)14-3-2-10-22-14/h12-14,17H,2-11H2,1H3/t12-,13-,14?/m0/s1
InChIKeyKOVDIPRNOGTLOM-RFHHWMCGSA-N
MW309.41 g/mol
LogP0.22
Rot. Bonds2

About [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone

[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 120617558) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
PubChem CID120617558
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C3CCCO3)CC2)CCN1
InChIInChI=1S/C16H27N3O3/c1-12-11-13(4-5-17-12)15(20)18-6-8-19(9-7-18)16(21)14-3-2-10-22-14/h12-14,17H,2-11H2,1H3/t12-,13-,14?/m0/s1
InChIKeyKOVDIPRNOGTLOM-RFHHWMCGSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
azepan-1-yl(oxan-2-yl)methanone
CID 64592467

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone (CID 120617558) is [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C3CCCO3)CC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KOVDIPRNOGTLOM-RFHHWMCGSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-11-13(4-5-17-12)15(20)18-6-8-19(9-7-18)16(21)14-3-2-10-22-14/h12-14,17H,2-11H2,1H3/t12-,13-,14?/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120617558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).