3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H25N3O3 — CID 79327663

IUPAC3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESNC1CCN(CC(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c15-11-4-6-17(7-5-11)9-13(18)16-12-3-1-2-10(8-12)14(19)20/h10-12H,1-9,15H2,(H,16,18)(H,19,20)
InChIKeyNHMRQXTTZLIRCO-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.17
Rot. Bonds4

About 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 79327663) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID79327663
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESNC1CCN(CC(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c15-11-4-6-17(7-5-11)9-13(18)16-12-3-1-2-10(8-12)14(19)20/h10-12H,1-9,15H2,(H,16,18)(H,19,20)
InChIKeyNHMRQXTTZLIRCO-UHFFFAOYSA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
2-(4-aminopiperidin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79322864
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 79327663) is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is NC1CCN(CC(=O)NC2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NHMRQXTTZLIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-11-4-6-17(7-5-11)9-13(18)16-12-3-1-2-10(8-12)14(19)20/h10-12H,1-9,15H2,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79327663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).