1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid

C12H22N2O4 — CID 113468850

IUPAC1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCN(CCCO)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-13(6-3-9-15)12(18)14-7-4-10(5-8-14)11(16)17/h10,15H,2-9H2,1H3,(H,16,17)
InChIKeyLQLBOTGHSPQEKK-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds5

About 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid

1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 113468850) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID113468850
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCN(CCCO)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-13(6-3-9-15)12(18)14-7-4-10(5-8-14)11(16)17/h10,15H,2-9H2,1H3,(H,16,17)
InChIKeyLQLBOTGHSPQEKK-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 115771580
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61439374
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
CID 102976075
1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744036
1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
CID 119355055
1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113468851
1-[ethyl(piperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 61408507
2-[ethyl(3-hydroxypropyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890789
piperidine-1,4-dicarboxylic acid
CID 18542445
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 113340557

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid (CID 113468850) is 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid is CCN(CCCO)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LQLBOTGHSPQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-13(6-3-9-15)12(18)14-7-4-10(5-8-14)11(16)17/h10,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid?
1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113468850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).