1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid

C15H26N2O3 — CID 107071356

IUPAC1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCC1CCCN(C(=O)N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-3-12-7-5-8-16(10-12)15(20)17-9-4-6-11(2)13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyKULZISGJKAVPAI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid

1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071356) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107071356
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCC1CCCN(C(=O)N2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-3-12-7-5-8-16(10-12)15(20)17-9-4-6-11(2)13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyKULZISGJKAVPAI-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071933
1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781678
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid (CID 107071356) is 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid is CCC1CCCN(C(=O)N2CCCC(C)C2C(=O)O)C1.
What is the InChIKey of 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is KULZISGJKAVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-12-7-5-8-16(10-12)15(20)17-9-4-6-11(2)13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).