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

1-[4-(Methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 63979007
(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one
CID 91660181
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
1-(3,5-Dimethylmorpholin-4-yl)-3-piperidin-4-ylpropan-1-one
CID 120150449
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-[(3R)-oxan-3-yl]acetamide
CID 125517261
1-methyl-N-(oxan-4-yl)-2-oxopiperidine-4-carboxamide
CID 132284428
3-Methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one
CID 136535585
1-ethyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide
CID 136581483
5,5-dimethyl-4-[(1S,2R)-2-(oxan-4-yl)cyclopropanecarbonyl]piperazin-2-one
CID 164632793
N-(2-methyloxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 105754927
N-[1-(oxan-4-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 105809365

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).