4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid

C14H21N3O3 — CID 63125262

IUPAC4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-14(13(19)20)4-8-17(9-5-14)12(18)3-7-16-10-6-15-11-16/h6,10-11H,2-5,7-9H2,1H3,(H,19,20)
InChIKeyRWJJFFUDVPGOAC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.38
Rot. Bonds5

About 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid

4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 63125262) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
PubChem CID63125262
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-14(13(19)20)4-8-17(9-5-14)12(18)3-7-16-10-6-15-11-16/h6,10-11H,2-5,7-9H2,1H3,(H,19,20)
InChIKeyRWJJFFUDVPGOAC-UHFFFAOYSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
CID 63126519
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
2-[4-(3-imidazol-1-ylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62822851
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one
CID 137387173
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid (CID 63125262) is 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)CCn2ccnc2)CC1.
What is the InChIKey of 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is RWJJFFUDVPGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-14(13(19)20)4-8-17(9-5-14)12(18)3-7-16-10-6-15-11-16/h6,10-11H,2-5,7-9H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).