3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 66032810

IUPAC3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC1CCN(C(=O)NC2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O4/c1-19-11-4-6-15(7-5-11)13(18)14-10-3-2-9(8-10)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyARXJPMKTKOBGNT-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds3

About 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032810) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032810
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC1CCN(C(=O)NC2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O4/c1-19-11-4-6-15(7-5-11)13(18)14-10-3-2-9(8-10)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyARXJPMKTKOBGNT-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66032810) is 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is COC1CCN(C(=O)NC2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ARXJPMKTKOBGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-11-4-6-15(7-5-11)13(18)14-10-3-2-9(8-10)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).