1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid

C14H24N2O3 — CID 113465880

IUPAC1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
SMILESC=CCCNC(=O)N1CCC(CCC)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-3-5-9-15-13(19)16-10-7-14(6-4-2,8-11-16)12(17)18/h3H,1,4-11H2,2H3,(H,15,19)(H,17,18)
InChIKeyBRDYKJCOWDNMJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds6

About 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid

1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 113465880) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID113465880
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
SMILESC=CCCNC(=O)N1CCC(CCC)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-3-5-9-15-13(19)16-10-7-14(6-4-2,8-11-16)12(17)18/h3H,1,4-11H2,2H3,(H,15,19)(H,17,18)
InChIKeyBRDYKJCOWDNMJN-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-(oxolan-2-ylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63126704
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 107589365
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid (CID 113465880) is 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid is C=CCCNC(=O)N1CCC(CCC)(C(=O)O)CC1.
What is the InChIKey of 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is BRDYKJCOWDNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-5-9-15-13(19)16-10-7-14(6-4-2,8-11-16)12(17)18/h3H,1,4-11H2,2H3,(H,15,19)(H,17,18).
What are the key properties of 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid?
1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-enylcarbamoyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 113465880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).