1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one

C14H26N2O2 — CID 119493887

IUPAC1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
SMILESCNC1CCCN(C(=O)CCC2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-15-13-3-2-8-16(11-13)14(17)5-4-12-6-9-18-10-7-12/h12-13,15H,2-11H2,1H3
InChIKeyKJCCZIYQBOFVNG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds4

About 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one

1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one (PubChem CID 119493887) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
PubChem CID119493887
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
SMILESCNC1CCCN(C(=O)CCC2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-15-13-3-2-8-16(11-13)14(17)5-4-12-6-9-18-10-7-12/h12-13,15H,2-11H2,1H3
InChIKeyKJCCZIYQBOFVNG-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119489417
3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119488758
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
CID 115277266
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one (CID 119493887) is 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one is CNC1CCCN(C(=O)CCC2CCOCC2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one?
The InChIKey is KJCCZIYQBOFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-13-3-2-8-16(11-13)14(17)5-4-12-6-9-18-10-7-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one?
1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 119493887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).