Skip to content

N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide

C19H19F3N4O3 — CID 155438968

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2c1OC(F)(F)O2
InChIInChI=1S/C19H19F3N4O3/c1-12(13-3-2-4-16-17(13)29-19(21,22)28-16)24-18(27)26-9-7-25(8-10-26)15-5-6-23-11-14(15)20/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChIKeyZTWKLYRMNVUQJC-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide

N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide (PubChem CID 155438968) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
PubChem CID155438968
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2c1OC(F)(F)O2
InChIInChI=1S/C19H19F3N4O3/c1-12(13-3-2-4-16-17(13)29-19(21,22)28-16)24-18(27)26-9-7-25(8-10-26)15-5-6-23-11-14(15)20/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChIKeyZTWKLYRMNVUQJC-UHFFFAOYSA-N
XLogP3.13
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide (CID 155438968) is N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccncc2F)CC1)c1cccc2c1OC(F)(F)O2.
What is the InChIKey of N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
The InChIKey is ZTWKLYRMNVUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-12(13-3-2-4-16-17(13)29-19(21,22)28-16)24-18(27)26-9-7-25(8-10-26)15-5-6-23-11-14(15)20/h2-6,11-12H,7-10H2,1H3,(H,24,27).
What are the key properties of N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide?
N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 155438968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.