2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid

C16H28N2O3 — CID 106005309

IUPAC2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCCCC2CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c19-15(20)12-14-7-10-18(11-8-14)16(21)17-9-3-6-13-4-1-2-5-13/h13-14H,1-12H2,(H,17,21)(H,19,20)
InChIKeyLXZNAXSJGYMQHD-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid

2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid (PubChem CID 106005309) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
PubChem CID106005309
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCCCC2CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c19-15(20)12-14-7-10-18(11-8-14)16(21)17-9-3-6-13-4-1-2-5-13/h13-14H,1-12H2,(H,17,21)(H,19,20)
InChIKeyLXZNAXSJGYMQHD-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106005313
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide
CID 112837772
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
2-[4-(2-cyclopentylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61205575
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid (CID 106005309) is 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NCCCC2CCCC2)CC1.
What is the InChIKey of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid?
The InChIKey is LXZNAXSJGYMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(20)12-14-7-10-18(11-8-14)16(21)17-9-3-6-13-4-1-2-5-13/h13-14H,1-12H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid?
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 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-4-yl]acetic acid is sourced from PubChem (CID 106005309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).