3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

C15H27N3O3 — CID 63136382

IUPAC3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N(C)C2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-15(13(19)20)7-4-10-18(11-15)14(21)17(2)12-5-8-16-9-6-12/h12,16H,3-11H2,1-2H3,(H,19,20)
InChIKeyXUSKSBFYMZIHEQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds3

About 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63136382) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63136382
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N(C)C2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-15(13(19)20)7-4-10-18(11-15)14(21)17(2)12-5-8-16-9-6-12/h12,16H,3-11H2,1-2H3,(H,19,20)
InChIKeyXUSKSBFYMZIHEQ-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63135670
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 63136615
3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 102656171
1-[2-(1,4-diazepan-1-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134718

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 63136382) is 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)N(C)C2CCNCC2)C1.
What is the InChIKey of 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XUSKSBFYMZIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-15(13(19)20)7-4-10-18(11-15)14(21)17(2)12-5-8-16-9-6-12/h12,16H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63136382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).