1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid

C14H20N2O3 — CID 82486332

IUPAC1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCc2cc[nH]c2)C1
InChIInChI=1S/C14H20N2O3/c17-13(5-1-3-11-6-7-15-9-11)16-8-2-4-12(10-16)14(18)19/h6-7,9,12,15H,1-5,8,10H2,(H,18,19)
InChIKeyQHMVSBKMOOPEMS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.66
Rot. Bonds5

About 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid

1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 82486332) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID82486332
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCc2cc[nH]c2)C1
InChIInChI=1S/C14H20N2O3/c17-13(5-1-3-11-6-7-15-9-11)16-8-2-4-12(10-16)14(18)19/h6-7,9,12,15H,1-5,8,10H2,(H,18,19)
InChIKeyQHMVSBKMOOPEMS-UHFFFAOYSA-N
XLogP1.66
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
1-[3-(1H-pyrrol-3-yl)propyl]piperidine-4-carboxylic acid
CID 82476458
(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 99623166
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid (CID 82486332) is 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCCc2cc[nH]c2)C1.
What is the InChIKey of 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is QHMVSBKMOOPEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(5-1-3-11-6-7-15-9-11)16-8-2-4-12(10-16)14(18)19/h6-7,9,12,15H,1-5,8,10H2,(H,18,19).
What are the key properties of 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid?
1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82486332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).