1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid

C16H28N2O4 — CID 122006584

IUPAC1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOCCC1(CNC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C16H28N2O4/c1-22-11-8-16(6-2-3-7-16)12-17-15(21)18-9-4-13(5-10-18)14(19)20/h13H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyNQOXATNKGWMUSQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.09
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid

1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122006584) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122006584
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOCCC1(CNC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C16H28N2O4/c1-22-11-8-16(6-2-3-7-16)12-17-15(21)18-9-4-13(5-10-18)14(19)20/h13H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyNQOXATNKGWMUSQ-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
1-[[1-(2-ethoxyethyl)cyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007515
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
CID 126785969
1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122002090
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006393
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid (CID 122006584) is 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid is COCCC1(CNC(=O)N2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is NQOXATNKGWMUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-22-11-8-16(6-2-3-7-16)12-17-15(21)18-9-4-13(5-10-18)14(19)20/h13H,2-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122006584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).