1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid

C14H24N2O5 — CID 63136901

IUPAC1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-4-14(12(18)19)7-6-8-16(9-14)13(20)15-10(3)11(17)21-5-2/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySEPHGCDRWBBRQC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds5

About 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid

1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63136901) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63136901
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-4-14(12(18)19)7-6-8-16(9-14)13(20)15-10(3)11(17)21-5-2/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySEPHGCDRWBBRQC-UHFFFAOYSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid (CID 63136901) is 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid is CCOC(=O)C(C)NC(=O)N1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is SEPHGCDRWBBRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-14(12(18)19)7-6-8-16(9-14)13(20)15-10(3)11(17)21-5-2/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).