2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid

C14H25N3O3 — CID 83020209

IUPAC2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NN2CCCCC2)CCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)11-14(7-3-1-4-8-14)15-13(20)16-17-9-5-2-6-10-17/h1-11H2,(H,18,19)(H2,15,16,20)
InChIKeySBFIVXCTUNFUIS-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.86
Rot. Bonds4

About 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid

2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid (PubChem CID 83020209) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid
PubChem CID83020209
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NN2CCCCC2)CCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(19)11-14(7-3-1-4-8-14)15-13(20)16-17-9-5-2-6-10-17/h1-11H2,(H,18,19)(H2,15,16,20)
InChIKeySBFIVXCTUNFUIS-UHFFFAOYSA-N
XLogP1.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 83020129
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
CID 64672154
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid (CID 83020209) is 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)NN2CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid?
The InChIKey is SBFIVXCTUNFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-12(19)11-14(7-3-1-4-8-14)15-13(20)16-17-9-5-2-6-10-17/h1-11H2,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid?
2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 83020209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).