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

C15H25N3O3 — CID 63126944

IUPAC1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCN(CC(C)C#N)C(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H25N3O3/c1-4-15(13(19)20)6-8-18(9-7-15)14(21)17(5-2)11-12(3)10-16/h12H,4-9,11H2,1-3H3,(H,19,20)
InChIKeyDDULJRJTGHSCQI-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.16
Rot. Bonds5

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

1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63126944) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63126944
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCN(CC(C)C#N)C(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C15H25N3O3/c1-4-15(13(19)20)6-8-18(9-7-15)14(21)17(5-2)11-12(3)10-16/h12H,4-9,11H2,1-3H3,(H,19,20)
InChIKeyDDULJRJTGHSCQI-UHFFFAOYSA-N
XLogP2.16
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 63127367
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79160129
1-[1-(diethylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-4-carboxylic acid
CID 63126666
4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63126538
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107400193
4-ethyl-1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 55177384
3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459
1-[2-cyanopropyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983802

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid (CID 63126944) is 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid is CCN(CC(C)C#N)C(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is DDULJRJTGHSCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-15(13(19)20)6-8-18(9-7-15)14(21)17(5-2)11-12(3)10-16/h12H,4-9,11H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid?
1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).