2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid

C16H28N2O3 — CID 106005378

IUPAC2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCCCC1CCCC1
InChIInChI=1S/C16H28N2O3/c19-15(20)12-14-9-3-4-11-18(14)16(21)17-10-5-8-13-6-1-2-7-13/h13-14H,1-12H2,(H,17,21)(H,19,20)
InChIKeyHQSUFXLVJXZAIL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 106005378) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID106005378
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCCCC1CCCC1
InChIInChI=1S/C16H28N2O3/c19-15(20)12-14-9-3-4-11-18(14)16(21)17-10-5-8-13-6-1-2-7-13/h13-14H,1-12H2,(H,17,21)(H,19,20)
InChIKeyHQSUFXLVJXZAIL-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
CID 83204570
2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61203013
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidin-2-yl]acetic acid
CID 63833186
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid (CID 106005378) is 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)NCCCC1CCCC1.
What is the InChIKey of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is HQSUFXLVJXZAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(20)12-14-9-3-4-11-18(14)16(21)17-10-5-8-13-6-1-2-7-13/h13-14H,1-12H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 106005378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).