4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 63131360

IUPAC4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C2(C)CCCNC2)(C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-3-12-5-8-16(9-6-12,14(20)21)18-13(19)15(2)7-4-10-17-11-15/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQALUPCXKLJQUBY-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.92
Rot. Bonds4

About 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63131360) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63131360
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C2(C)CCCNC2)(C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-3-12-5-8-16(9-6-12,14(20)21)18-13(19)15(2)7-4-10-17-11-15/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQALUPCXKLJQUBY-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63122559
4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63141596
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylpiperidine-3-carboxamide
CID 65119149
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82758308
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61403150
4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104913572
4-ethyl-1-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]cyclohexane-1-carboxylic acid
CID 102656004
1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131743
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63131360) is 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)C2(C)CCCNC2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QALUPCXKLJQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-12-5-8-16(9-6-12,14(20)21)18-13(19)15(2)7-4-10-17-11-15/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-methylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63131360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).