2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid

C14H26N2O4 — CID 61447659

IUPAC2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCCCN(CCO)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-3-7-15(9-10-17)14(20)16-8-5-4-6-12(16)11-13(18)19/h12,17H,2-11H2,1H3,(H,18,19)
InChIKeyGHVFTGLBRCFFCT-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.53
Rot. Bonds7

About 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61447659) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61447659
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCCCN(CCO)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-3-7-15(9-10-17)14(20)16-8-5-4-6-12(16)11-13(18)19/h12,17H,2-11H2,1H3,(H,18,19)
InChIKeyGHVFTGLBRCFFCT-UHFFFAOYSA-N
XLogP1.53
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61443667
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61439282
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61193412
2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
2-[4-[butyl(ethyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444126
1-[bis(2-hydroxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64564677
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 104552989
3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83056051

Frequently Asked Questions

What is the IUPAC name of 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61447659) is 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid is CCCCN(CCO)C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is GHVFTGLBRCFFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-7-15(9-10-17)14(20)16-8-5-4-6-12(16)11-13(18)19/h12,17H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61447659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).