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

C13H23N3O3 — CID 55147693

IUPAC3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1CCN(C(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c14-10-4-6-16(7-5-10)13(19)15-11-3-1-2-9(8-11)12(17)18/h9-11H,1-8,14H2,(H,15,19)(H,17,18)
InChIKeyLGIBECZOJXTWIE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.76
Rot. Bonds2

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

3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55147693) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID55147693
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1CCN(C(=O)NC2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c14-10-4-6-16(7-5-10)13(19)15-11-3-1-2-9(8-11)12(17)18/h9-11H,1-8,14H2,(H,15,19)(H,17,18)
InChIKeyLGIBECZOJXTWIE-UHFFFAOYSA-N
XLogP0.76
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930
3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044455
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
N-(3-aminocyclobutyl)pyrrolidine-1-carboxamide
CID 79161437
3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044371

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 55147693) is 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is NC1CCN(C(=O)NC2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LGIBECZOJXTWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-10-4-6-16(7-5-10)13(19)15-11-3-1-2-9(8-11)12(17)18/h9-11H,1-8,14H2,(H,15,19)(H,17,18).
What are the key properties of 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55147693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).