1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid

C15H23N3O3 — CID 63125704

IUPAC1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-4-15(14(20)21)5-9-18(10-6-15)13(19)3-8-17-11-7-16-12-17/h7,11-12H,2-6,8-10H2,1H3,(H,20,21)
InChIKeyYPTFHCWLTSJDOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.77
Rot. Bonds6

About 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid

1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125704) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125704
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCn2ccnc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-4-15(14(20)21)5-9-18(10-6-15)13(19)3-8-17-11-7-16-12-17/h7,11-12H,2-6,8-10H2,1H3,(H,20,21)
InChIKeyYPTFHCWLTSJDOK-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
CID 63126519
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
4-propyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63125606
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457
1-[4-(3-imidazol-1-ylpropyl)-4-methylpiperidin-1-yl]-3-methoxypropan-1-one
CID 137387173
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid (CID 63125704) is 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CCn2ccnc2)CC1.
What is the InChIKey of 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is YPTFHCWLTSJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-4-15(14(20)21)5-9-18(10-6-15)13(19)3-8-17-11-7-16-12-17/h7,11-12H,2-6,8-10H2,1H3,(H,20,21).
What are the key properties of 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).