5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide

C20H23BrN4O3 — CID 134000348

IUPAC5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C20H23BrN4O3/c21-14-5-3-13(4-6-14)16-12-17(24-23-16)19(26)22-15-7-9-25(10-8-15)20(27)18-2-1-11-28-18/h1-6,11,15-17,23-24H,7-10,12H2,(H,22,26)
InChIKeyWODFNXDMGIFNCN-UHFFFAOYSA-N
MW447.33 g/mol
LogP2.37
Rot. Bonds4

About 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide (PubChem CID 134000348) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide
PubChem CID134000348
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C20H23BrN4O3/c21-14-5-3-13(4-6-14)16-12-17(24-23-16)19(26)22-15-7-9-25(10-8-15)20(27)18-2-1-11-28-18/h1-6,11,15-17,23-24H,7-10,12H2,(H,22,26)
InChIKeyWODFNXDMGIFNCN-UHFFFAOYSA-N
XLogP2.37
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide 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-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277089
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129397980
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-(1-cyclopropylpiperidin-4-yl)-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75617543
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55593776
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide (CID 134000348) is 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide?
The InChIKey is WODFNXDMGIFNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c21-14-5-3-13(4-6-14)16-12-17(24-23-16)19(26)22-15-7-9-25(10-8-15)20(27)18-2-1-11-28-18/h1-6,11,15-17,23-24H,7-10,12H2,(H,22,26).
What are the key properties of 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide has a molecular weight of 447.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134000348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).