2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid

C14H21N3O3 — CID 79331220

IUPAC2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN1CCCC(NC(=O)c2cccn2CC(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-2-16-7-3-5-11(9-16)15-14(20)12-6-4-8-17(12)10-13(18)19/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyANOHIVZHSAEOFZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.79
Rot. Bonds5

About 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79331220) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79331220
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCCN1CCCC(NC(=O)c2cccn2CC(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-2-16-7-3-5-11(9-16)15-14(20)12-6-4-8-17(12)10-13(18)19/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyANOHIVZHSAEOFZ-UHFFFAOYSA-N
XLogP0.79
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
2-[2-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 114156976
2-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79322092
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79331220) is 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid is CCN1CCCC(NC(=O)c2cccn2CC(=O)O)C1.
What is the InChIKey of 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is ANOHIVZHSAEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-7-3-5-11(9-16)15-14(20)12-6-4-8-17(12)10-13(18)19/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).