4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid

C16H28N2O3 — CID 114428986

IUPAC4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1CCNC(C(=O)N2CCC(CC)(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-12-5-8-17-13(11-12)14(19)18-9-6-16(4-2,7-10-18)15(20)21/h12-13,17H,3-11H2,1-2H3,(H,20,21)
InChIKeyROXJEHCTUJPCPK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds4

About 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 114428986) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID114428986
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1CCNC(C(=O)N2CCC(CC)(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-12-5-8-17-13(11-12)14(19)18-9-6-16(4-2,7-10-18)15(20)21/h12-13,17H,3-11H2,1-2H3,(H,20,21)
InChIKeyROXJEHCTUJPCPK-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
4-ethyl-1-(2-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 79384911
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220216
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid (CID 114428986) is 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid is CCC1CCNC(C(=O)N2CCC(CC)(C(=O)O)CC2)C1.
What is the InChIKey of 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is ROXJEHCTUJPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-12-5-8-17-13(11-12)14(19)18-9-6-16(4-2,7-10-18)15(20)21/h12-13,17H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 114428986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).