1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid

C13H18N2O3 — CID 43638872

IUPAC1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCn1cccc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-2-14-7-4-6-11(14)12(16)15-8-3-5-10(9-15)13(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,18)
InChIKeyBSGSBYNSPHCPGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.44
Rot. Bonds3

About 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid

1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43638872) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID43638872
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCn1cccc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-2-14-7-4-6-11(14)12(16)15-8-3-5-10(9-15)13(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,18)
InChIKeyBSGSBYNSPHCPGF-UHFFFAOYSA-N
XLogP1.44
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
(3R)-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610662
(3R)-1-[4-(1-ethylpyrrol-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 54441255
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid (CID 43638872) is 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid is CCn1cccc1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BSGSBYNSPHCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-14-7-4-6-11(14)12(16)15-8-3-5-10(9-15)13(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,18).
What are the key properties of 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43638872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).