4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 79529802

IUPAC4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12(15(19)18-9-3-2-4-10-18)17-11-13-5-7-14(8-6-13)16(20)21/h12-14,17H,2-11H2,1H3,(H,20,21)
InChIKeyVNBJCDOHAWFRNY-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds5

About 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79529802) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79529802
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12(15(19)18-9-3-2-4-10-18)17-11-13-5-7-14(8-6-13)16(20)21/h12-14,17H,2-11H2,1H3,(H,20,21)
InChIKeyVNBJCDOHAWFRNY-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[(3-hydroxycyclobutyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 66004616
2-[(2-methylcyclopentyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 107418174
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79531735
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
1-(azepan-1-yl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]propan-1-one
CID 114515642
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113235526
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105441708
4-[(pentan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532413
1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 56701957
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79529802) is 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is CC(NCC1CCC(C(=O)O)CC1)C(=O)N1CCCCC1.
What is the InChIKey of 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VNBJCDOHAWFRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(15(19)18-9-3-2-4-10-18)17-11-13-5-7-14(8-6-13)16(20)21/h12-14,17H,2-11H2,1H3,(H,20,21).
What are the key properties of 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79529802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).