1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

C15H28N2O3 — CID 114430130

IUPAC1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-9-16(6-3)15(20)17-10-8-12(5-2)11-13(17)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyMOPMHNBVHKVGHX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds6

About 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430130) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430130
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCCCN(CC)C(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-9-16(6-3)15(20)17-10-8-12(5-2)11-13(17)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyMOPMHNBVHKVGHX-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (CID 114430130) is 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is CCCCN(CC)C(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is MOPMHNBVHKVGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-9-16(6-3)15(20)17-10-8-12(5-2)11-13(17)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).