[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

C22H33FN4O — CID 52986939

IUPAC[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CCN(CC2CCCN(C(=O)C3CNNC3c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H33FN4O/c1-16-8-11-26(12-9-16)14-17-3-2-10-27(15-17)22(28)20-13-24-25-21(20)18-4-6-19(23)7-5-18/h4-7,16-17,20-21,24-25H,2-3,8-15H2,1H3
InChIKeyZCZXELXLPHNTTJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.56
Rot. Bonds4

About [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 52986939) has the molecular formula C22H33FN4O and a molecular weight of 388.53 g/mol. Its IUPAC name is [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID52986939
Molecular FormulaC22H33FN4O
Molecular Weight388.53 g/mol
Exact Mass388.26
IUPAC Name[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CCN(CC2CCCN(C(=O)C3CNNC3c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H33FN4O/c1-16-8-11-26(12-9-16)14-17-3-2-10-27(15-17)22(28)20-13-24-25-21(20)18-4-6-19(23)7-5-18/h4-7,16-17,20-21,24-25H,2-3,8-15H2,1H3
InChIKeyZCZXELXLPHNTTJ-UHFFFAOYSA-N
XLogP2.56
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
3-[(3S)-1-[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 124845910
3-[(3S)-1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 124845911
azepan-1-yl-[3-(4-chlorophenyl)pyrazolidin-4-yl]methanone
CID 134036153
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 124776857
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 71881171
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97023778
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94816596
[2-(4-fluorophenyl)cyclopropyl]-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 71915908

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 52986939) is [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is CC1CCN(CC2CCCN(C(=O)C3CNNC3c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ZCZXELXLPHNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O/c1-16-8-11-26(12-9-16)14-17-3-2-10-27(15-17)22(28)20-13-24-25-21(20)18-4-6-19(23)7-5-18/h4-7,16-17,20-21,24-25H,2-3,8-15H2,1H3.
What are the key properties of [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
[3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 388.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)pyrazolidin-4-yl]-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 52986939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).