[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C22H27FN4O — CID 109173670

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1
InChIInChI=1S/C22H27FN4O/c1-17-3-2-10-27(16-17)22(28)18-8-9-24-21(15-18)26-13-11-25(12-14-26)20-6-4-19(23)5-7-20/h4-9,15,17H,2-3,10-14,16H2,1H3
InChIKeyVDDAYVFBJAWDTR-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.42
Rot. Bonds3

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109173670) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109173670
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1
InChIInChI=1S/C22H27FN4O/c1-17-3-2-10-27(16-17)22(28)18-8-9-24-21(15-18)26-13-11-25(12-14-26)20-6-4-19(23)5-7-20/h4-9,15,17H,2-3,10-14,16H2,1H3
InChIKeyVDDAYVFBJAWDTR-UHFFFAOYSA-N
XLogP3.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109173670) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is VDDAYVFBJAWDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-17-3-2-10-27(16-17)22(28)18-8-9-24-21(15-18)26-13-11-25(12-14-26)20-6-4-19(23)5-7-20/h4-9,15,17H,2-3,10-14,16H2,1H3.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 382.48 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109173670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).