(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone

C15H21FN4O — CID 77115341

IUPAC(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
SMILESNC1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C15H21FN4O/c16-11-3-1-10(2-4-11)13-9-14(19-18-13)15(21)20-7-5-12(17)6-8-20/h1-4,12-14,18-19H,5-9,17H2
InChIKeyKCALBIHWYOQIGX-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.68
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone

(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone (PubChem CID 77115341) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
PubChem CID77115341
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
SMILESNC1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C15H21FN4O/c16-11-3-1-10(2-4-11)13-9-14(19-18-13)15(21)20-7-5-12(17)6-8-20/h1-4,12-14,18-19H,5-9,17H2
InChIKeyKCALBIHWYOQIGX-UHFFFAOYSA-N
XLogP0.68
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 75270626
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 133108632
1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
CID 74601974
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 134067512
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
N-(1-cyclopropylpiperidin-4-yl)-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75617543
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 133110177
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 75120083
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone (CID 77115341) is (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone is NC1CCN(C(=O)C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
The InChIKey is KCALBIHWYOQIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-11-3-1-10(2-4-11)13-9-14(19-18-13)15(21)20-7-5-12(17)6-8-20/h1-4,12-14,18-19H,5-9,17H2.
What are the key properties of (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone?
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone has a molecular weight of 292.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 77115341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).