[1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H29F2N3O2 — CID 24817703

IUPAC[1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)ccc1F)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C22H29F2N3O2/c23-17-3-4-20(24)19(15-17)22(29)27-13-7-18(8-14-27)25-11-5-16(6-12-25)21(28)26-9-1-2-10-26/h3-4,15-16,18H,1-2,5-14H2
InChIKeyPZPCKAYDAVHAIW-UHFFFAOYSA-N
MW405.49 g/mol
LogP2.90
Rot. Bonds3

About [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24817703) has the molecular formula C22H29F2N3O2 and a molecular weight of 405.49 g/mol. Its IUPAC name is [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24817703
Molecular FormulaC22H29F2N3O2
Molecular Weight405.49 g/mol
Exact Mass405.22
IUPAC Name[1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)ccc1F)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C22H29F2N3O2/c23-17-3-4-20(24)19(15-17)22(29)27-13-7-18(8-14-27)25-11-5-16(6-12-25)21(28)26-9-1-2-10-26/h3-4,15-16,18H,1-2,5-14H2
InChIKeyPZPCKAYDAVHAIW-UHFFFAOYSA-N
XLogP2.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone 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-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
(1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
CID 10359235
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
(4-Cyclobutylpiperazin-1-yl)-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methanone
CID 59218190
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 24817703) is [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(F)ccc1F)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PZPCKAYDAVHAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N3O2/c23-17-3-4-20(24)19(15-17)22(29)27-13-7-18(8-14-27)25-11-5-16(6-12-25)21(28)26-9-1-2-10-26/h3-4,15-16,18H,1-2,5-14H2.
What are the key properties of [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 405.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,5-difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24817703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).