2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one

C13H24N2O2 — CID 66004616

IUPAC2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC1CC(O)C1)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10(14-9-11-7-12(16)8-11)13(17)15-5-3-2-4-6-15/h10-12,14,16H,2-9H2,1H3
InChIKeyIXKYWQTWFCHRFV-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds4

About 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 66004616) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID66004616
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC1CC(O)C1)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10(14-9-11-7-12(16)8-11)13(17)15-5-3-2-4-6-15/h10-12,14,16H,2-9H2,1H3
InChIKeyIXKYWQTWFCHRFV-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529802
2-[(2-methylcyclopentyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 107418174
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 103520472
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113235526
1-(azepan-1-yl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]propan-1-one
CID 114515642
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 66395436
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 66004616) is 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one is CC(NCC1CC(O)C1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is IXKYWQTWFCHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(14-9-11-7-12(16)8-11)13(17)15-5-3-2-4-6-15/h10-12,14,16H,2-9H2,1H3.
What are the key properties of 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 66004616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).