2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 113360949

IUPAC2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H21NO4/c15-8-9-4-6-14(7-5-9)12(16)10-2-1-3-11(10)13(17)18/h9-11,15H,1-8H2,(H,17,18)
InChIKeyQPCDBZBOQAWCDM-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.72
Rot. Bonds3

About 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 113360949) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID113360949
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H21NO4/c15-8-9-4-6-14(7-5-9)12(16)10-2-1-3-11(10)13(17)18/h9-11,15H,1-8H2,(H,17,18)
InChIKeyQPCDBZBOQAWCDM-UHFFFAOYSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid
CID 114091788
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 113360949) is 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is QPCDBZBOQAWCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-8-9-4-6-14(7-5-9)12(16)10-2-1-3-11(10)13(17)18/h9-11,15H,1-8H2,(H,17,18).
What are the key properties of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113360949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).