1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid

C15H23N3O3 — CID 62715725

IUPAC1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCCCCNC(=O)N1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-8-16-15(21)17-10-6-12(7-11-17)18-9-4-5-13(18)14(19)20/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyZTWIUJKPPGXXTR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.33
Rot. Bonds5

About 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 62715725) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID62715725
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCCCCNC(=O)N1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-8-16-15(21)17-10-6-12(7-11-17)18-9-4-5-13(18)14(19)20/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyZTWIUJKPPGXXTR-UHFFFAOYSA-N
XLogP2.33
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715208
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
1-[1-(2-propoxyethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 106454671
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103689
1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103542
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 114507061
1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 107704534
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739

Frequently Asked Questions

What is the IUPAC name of 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid (CID 62715725) is 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid is CCCCNC(=O)N1CCC(n2cccc2C(=O)O)CC1.
What is the InChIKey of 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is ZTWIUJKPPGXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-8-16-15(21)17-10-6-12(7-11-17)18-9-4-5-13(18)14(19)20/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 62715725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).