2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide

C22H30F2N4O3 — CID 55377147

IUPAC2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C22H30F2N4O3/c1-2-7-25-20(29)15-26-10-12-28(13-11-26)21(30)16-5-8-27(9-6-16)22(31)18-4-3-17(23)14-19(18)24/h3-4,14,16H,2,5-13,15H2,1H3,(H,25,29)
InChIKeyNTYKAVKMMBFEMD-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.49
Rot. Bonds6

About 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55377147) has the molecular formula C22H30F2N4O3 and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55377147
Molecular FormulaC22H30F2N4O3
Molecular Weight436.50 g/mol
Exact Mass436.23
IUPAC Name2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C22H30F2N4O3/c1-2-7-25-20(29)15-26-10-12-28(13-11-26)21(30)16-5-8-27(9-6-16)22(31)18-4-3-17(23)14-19(18)24/h3-4,14,16H,2,5-13,15H2,1H3,(H,25,29)
InChIKeyNTYKAVKMMBFEMD-UHFFFAOYSA-N
XLogP1.49
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide 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

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812532
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 35359411
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55879784
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
(2R)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-propylpropanamide
CID 95300051
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide (CID 55377147) is 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is NTYKAVKMMBFEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O3/c1-2-7-25-20(29)15-26-10-12-28(13-11-26)21(30)16-5-8-27(9-6-16)22(31)18-4-3-17(23)14-19(18)24/h3-4,14,16H,2,5-13,15H2,1H3,(H,25,29).
What are the key properties of 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 436.50 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55377147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).