2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid

C16H29N3O4 — CID 75383592

IUPAC2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(=O)N(CC)CC)C1
InChIInChI=1S/C16H29N3O4/c1-4-9-18(12-14(20)21)15(22)13-8-7-10-19(11-13)16(23)17(5-2)6-3/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyADXYOBWKGQADLE-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.48
Rot. Bonds7

About 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid

2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid (PubChem CID 75383592) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
PubChem CID75383592
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(=O)N(CC)CC)C1
InChIInChI=1S/C16H29N3O4/c1-4-9-18(12-14(20)21)15(22)13-8-7-10-19(11-13)16(23)17(5-2)6-3/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyADXYOBWKGQADLE-UHFFFAOYSA-N
XLogP1.48
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid (CID 75383592) is 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1CCCN(C(=O)N(CC)CC)C1.
What is the InChIKey of 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The InChIKey is ADXYOBWKGQADLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-4-9-18(12-14(20)21)15(22)13-8-7-10-19(11-13)16(23)17(5-2)6-3/h13H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid has a molecular weight of 327.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 75383592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).