[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C21H27FN4O — CID 120930215

IUPAC[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCC(Cc2ccc(F)cc2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C21H27FN4O/c22-19-4-2-17(3-5-19)16-18-6-14-25(15-7-18)20(27)21(8-11-23-12-9-21)26-13-1-10-24-26/h1-5,10,13,18,23H,6-9,11-12,14-16H2
InChIKeyFTGKPBIELCVJRY-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.58
Rot. Bonds4

About [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120930215) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120930215
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCC(Cc2ccc(F)cc2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C21H27FN4O/c22-19-4-2-17(3-5-19)16-18-6-14-25(15-7-18)20(27)21(8-11-23-12-9-21)26-13-1-10-24-26/h1-5,10,13,18,23H,6-9,11-12,14-16H2
InChIKeyFTGKPBIELCVJRY-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120929969
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide
CID 120930189
(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
CID 120926910
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
[4-(1H-imidazol-5-yl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941971
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120930215) is [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is O=C(N1CCC(Cc2ccc(F)cc2)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is FTGKPBIELCVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-19-4-2-17(3-5-19)16-18-6-14-25(15-7-18)20(27)21(8-11-23-12-9-21)26-13-1-10-24-26/h1-5,10,13,18,23H,6-9,11-12,14-16H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 370.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120930215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).