3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one

C16H32N2O2 — CID 154745080

IUPAC3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCOCC(CC(C)(C)C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-16(2,3)12-14(13-20-4)17-9-8-15(19)18-10-6-5-7-11-18/h14,17H,5-13H2,1-4H3
InChIKeyBSKVCRMIXJUULV-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds7

About 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 154745080) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID154745080
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCOCC(CC(C)(C)C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-16(2,3)12-14(13-20-4)17-9-8-15(19)18-10-6-5-7-11-18/h14,17H,5-13H2,1-4H3
InChIKeyBSKVCRMIXJUULV-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 113260256
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583638
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 86794928
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 154745080) is 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one is COCC(CC(C)(C)C)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is BSKVCRMIXJUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(2,3)12-14(13-20-4)17-9-8-15(19)18-10-6-5-7-11-18/h14,17H,5-13H2,1-4H3.
What are the key properties of 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 284.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 154745080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).