(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone

C17H28N2O3 — CID 113005814

IUPAC(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)C3CCCO3)CC2)C1
InChIInChI=1S/C17H28N2O3/c1-13-4-2-8-19(12-13)16(20)14-6-9-18(10-7-14)17(21)15-5-3-11-22-15/h13-15H,2-12H2,1H3
InChIKeyALKXSUIDUFLAAG-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.66
Rot. Bonds2

About (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 113005814) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
PubChem CID113005814
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)C3CCCO3)CC2)C1
InChIInChI=1S/C17H28N2O3/c1-13-4-2-8-19(12-13)16(20)14-6-9-18(10-7-14)17(21)15-5-3-11-22-15/h13-15H,2-12H2,1H3
InChIKeyALKXSUIDUFLAAG-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
N,N-dimethyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 110350799
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride
CID 119260927

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone (CID 113005814) is (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone is CC1CCCN(C(=O)C2CCN(C(=O)C3CCCO3)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is ALKXSUIDUFLAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-4-2-8-19(12-13)16(20)14-6-9-18(10-7-14)17(21)15-5-3-11-22-15/h13-15H,2-12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 308.42 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 113005814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).