4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid

C15H26N2O3 — CID 114430483

IUPAC4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
SMILESC=CCN(C(=O)N1CCC(CC)CC1C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-5-8-16(11(3)4)15(20)17-9-7-12(6-2)10-13(17)14(18)19/h5,11-13H,1,6-10H2,2-4H3,(H,18,19)
InChIKeySCHDNCAJBCWRNZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.58
Rot. Bonds5

About 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430483) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114430483
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
SMILESC=CCN(C(=O)N1CCC(CC)CC1C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-5-8-16(11(3)4)15(20)17-9-7-12(6-2)10-13(17)14(18)19/h5,11-13H,1,6-10H2,2-4H3,(H,18,19)
InChIKeySCHDNCAJBCWRNZ-UHFFFAOYSA-N
XLogP2.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[2-hydroxyethyl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430554
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430303
1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430130
4-ethyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430186
4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430104
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid (CID 114430483) is 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid is C=CCN(C(=O)N1CCC(CC)CC1C(=O)O)C(C)C.
What is the InChIKey of 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is SCHDNCAJBCWRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-8-16(11(3)4)15(20)17-9-7-12(6-2)10-13(17)14(18)19/h5,11-13H,1,6-10H2,2-4H3,(H,18,19).
What are the key properties of 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[propan-2-yl(prop-2-enyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).