N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

C24H27N5O3 — CID 26344393

IUPACN-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(NCCn3cccn3)CC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H27N5O3/c30-24(18-2-7-22-23(16-18)32-17-31-22)27-20-3-5-21(6-4-20)28-13-8-19(9-14-28)25-11-15-29-12-1-10-26-29/h1-7,10,12,16,19,25H,8-9,11,13-15,17H2,(H,27,30)
InChIKeyGUZNXWWQDHTRNI-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.12
Rot. Bonds7

About N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 26344393) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID26344393
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(NCCn3cccn3)CC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H27N5O3/c30-24(18-2-7-22-23(16-18)32-17-31-22)27-20-3-5-21(6-4-20)28-13-8-19(9-14-28)25-11-15-29-12-1-10-26-29/h1-7,10,12,16,19,25H,8-9,11,13-15,17H2,(H,27,30)
InChIKeyGUZNXWWQDHTRNI-UHFFFAOYSA-N
XLogP3.12
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-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

ethyl 4-[[1-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 25465200
N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide
CID 26340845
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42429096
N-[4-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42480111
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110288155
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 37393583
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91924029
N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42767021
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090051

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide (CID 26344393) is N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(N2CCC(NCCn3cccn3)CC2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GUZNXWWQDHTRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-24(18-2-7-22-23(16-18)32-17-31-22)27-20-3-5-21(6-4-20)28-13-8-19(9-14-28)25-11-15-29-12-1-10-26-29/h1-7,10,12,16,19,25H,8-9,11,13-15,17H2,(H,27,30).
What are the key properties of N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 26344393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).