1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid

C14H25N3O4 — CID 62657828

IUPAC1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCCNC(=O)CN(CC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-3-15-12(18)9-16(4-2)10-13(19)17-7-5-11(6-8-17)14(20)21/h11H,3-10H2,1-2H3,(H,15,18)(H,20,21)
InChIKeyAHLFIOZHMLRNDB-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.23
Rot. Bonds7

About 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 62657828) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID62657828
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCCNC(=O)CN(CC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-3-15-12(18)9-16(4-2)10-13(19)17-7-5-11(6-8-17)14(20)21/h11H,3-10H2,1-2H3,(H,15,18)(H,20,21)
InChIKeyAHLFIOZHMLRNDB-UHFFFAOYSA-N
XLogP-0.23
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
CID 9433175
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 54986600
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
N-ethyl-2-[ethyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433381
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
2-[(2-cyclohexyl-2-oxoethyl)-ethylamino]-N-ethylacetamide
CID 104750581
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433201
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid (CID 62657828) is 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid is CCNC(=O)CN(CC)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is AHLFIOZHMLRNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-15-12(18)9-16(4-2)10-13(19)17-7-5-11(6-8-17)14(20)21/h11H,3-10H2,1-2H3,(H,15,18)(H,20,21).
What are the key properties of 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62657828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).