(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone

C15H28N2O2 — CID 54989812

IUPAC(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2CCCC(C)N2)C1
InChIInChI=1S/C15H28N2O2/c1-3-10-19-13-7-5-9-17(11-13)15(18)14-8-4-6-12(2)16-14/h12-14,16H,3-11H2,1-2H3
InChIKeyQMGAFXDYTCYREV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds4

About (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone

(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 54989812) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID54989812
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2CCCC(C)N2)C1
InChIInChI=1S/C15H28N2O2/c1-3-10-19-13-7-5-9-17(11-13)15(18)14-8-4-6-12(2)16-14/h12-14,16H,3-11H2,1-2H3
InChIKeyQMGAFXDYTCYREV-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
(3-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62340471
[3-(2-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 107227490
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 102892277
(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119321499
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
1-[4-(6-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55002784
N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
CID 76926875
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423

Frequently Asked Questions

What is the IUPAC name of (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone (CID 54989812) is (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)C2CCCC(C)N2)C1.
What is the InChIKey of (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is QMGAFXDYTCYREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-10-19-13-7-5-9-17(11-13)15(18)14-8-4-6-12(2)16-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone?
(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 54989812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).