1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid

C14H25N3O4 — CID 63140609

IUPAC1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)NC(=O)NCC)C1
InChIInChI=1S/C14H25N3O4/c1-3-6-14(12(19)20)7-5-8-17(10-14)9-11(18)16-13(21)15-4-2/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyJREGSHUNAGQJIF-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds6

About 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63140609) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63140609
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)NC(=O)NCC)C1
InChIInChI=1S/C14H25N3O4/c1-3-6-14(12(19)20)7-5-8-17(10-14)9-11(18)16-13(21)15-4-2/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyJREGSHUNAGQJIF-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148934
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 55165124
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63141204
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid (CID 63140609) is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC(=O)NC(=O)NCC)C1.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is JREGSHUNAGQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-6-14(12(19)20)7-5-8-17(10-14)9-11(18)16-13(21)15-4-2/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63140609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).