2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid

C12H14Cl2N2O3 — CID 62691270

IUPAC2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1
InChIInChI=1S/C12H14Cl2N2O3/c13-8-5-9(15-11(8)14)12(19)16-3-1-2-7(6-16)4-10(17)18/h5,7,15H,1-4,6H2,(H,17,18)
InChIKeyDPFYNGYCOSHMOZ-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.65
Rot. Bonds3

About 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid

2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62691270) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62691270
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1
InChIInChI=1S/C12H14Cl2N2O3/c13-8-5-9(15-11(8)14)12(19)16-3-1-2-7(6-16)4-10(17)18/h5,7,15H,1-4,6H2,(H,17,18)
InChIKeyDPFYNGYCOSHMOZ-UHFFFAOYSA-N
XLogP2.65
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906
2-[1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690247
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
2-[1-(4-amino-3,5-dichlorobenzoyl)pyrrolidin-3-yl]acetic acid
CID 82833380
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid (CID 62691270) is 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1.
What is the InChIKey of 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is DPFYNGYCOSHMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c13-8-5-9(15-11(8)14)12(19)16-3-1-2-7(6-16)4-10(17)18/h5,7,15H,1-4,6H2,(H,17,18).
What are the key properties of 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 305.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62691270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).