2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide

C23H26F2N4O2 — CID 75270626

IUPAC2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C23H26F2N4O2/c24-17-5-1-15(2-6-17)13-22(30)26-19-9-11-29(12-10-19)23(31)21-14-20(27-28-21)16-3-7-18(25)8-4-16/h1-8,19-21,27-28H,9-14H2,(H,26,30)
InChIKeyMRICPQHPGMIPEW-UHFFFAOYSA-N
MW428.48 g/mol
LogP2.22
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide (PubChem CID 75270626) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
PubChem CID75270626
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C23H26F2N4O2/c24-17-5-1-15(2-6-17)13-22(30)26-19-9-11-29(12-10-19)23(31)21-14-20(27-28-21)16-3-7-18(25)8-4-16/h1-8,19-21,27-28H,9-14H2,(H,26,30)
InChIKeyMRICPQHPGMIPEW-UHFFFAOYSA-N
XLogP2.22
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-phenylacetamide
CID 134099098
N-(1-cyclopropylpiperidin-4-yl)-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75617543
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 133108632
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549654
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 134067512

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide (CID 75270626) is 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is MRICPQHPGMIPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c24-17-5-1-15(2-6-17)13-22(30)26-19-9-11-29(12-10-19)23(31)21-14-20(27-28-21)16-3-7-18(25)8-4-16/h1-8,19-21,27-28H,9-14H2,(H,26,30).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 428.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 75270626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).