1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid

C17H30N2O4 — CID 122006604

IUPAC1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCOCCC1(CNC(=O)N2CCCC(C(=O)O)C2)CCCC1
InChIInChI=1S/C17H30N2O4/c1-2-23-11-9-17(7-3-4-8-17)13-18-16(22)19-10-5-6-14(12-19)15(20)21/h14H,2-13H2,1H3,(H,18,22)(H,20,21)
InChIKeyHXZYJJUDDKDOFP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.48
Rot. Bonds7

About 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid

1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122006604) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122006604
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCOCCC1(CNC(=O)N2CCCC(C(=O)O)C2)CCCC1
InChIInChI=1S/C17H30N2O4/c1-2-23-11-9-17(7-3-4-8-17)13-18-16(22)19-10-5-6-14(12-19)15(20)21/h14H,2-13H2,1H3,(H,18,22)(H,20,21)
InChIKeyHXZYJJUDDKDOFP-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(2-ethoxyethyl)cyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007515
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006393
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
1-[[1-(2-methoxyethyl)cyclobutyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123170
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid (CID 122006604) is 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid is CCOCCC1(CNC(=O)N2CCCC(C(=O)O)C2)CCCC1.
What is the InChIKey of 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HXZYJJUDDKDOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-2-23-11-9-17(7-3-4-8-17)13-18-16(22)19-10-5-6-14(12-19)15(20)21/h14H,2-13H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid?
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122006604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).