[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone

C20H30FN3O2 — CID 71219283

IUPAC[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(OCCCC3CCNCC3)cc2F)CC1
InChIInChI=1S/C20H30FN3O2/c1-23-10-12-24(13-11-23)20(25)18-5-4-17(15-19(18)21)26-14-2-3-16-6-8-22-9-7-16/h4-5,15-16,22H,2-3,6-14H2,1H3
InChIKeyWPTNAWGHCKUIRO-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.37
Rot. Bonds6

About [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone

[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71219283) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID71219283
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(OCCCC3CCNCC3)cc2F)CC1
InChIInChI=1S/C20H30FN3O2/c1-23-10-12-24(13-11-23)20(25)18-5-4-17(15-19(18)21)26-14-2-3-16-6-8-22-9-7-16/h4-5,15-16,22H,2-3,6-14H2,1H3
InChIKeyWPTNAWGHCKUIRO-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490917
2-[2-fluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-piperidin-1-ylethanone
CID 123430480
(2-fluoro-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55653073
2-[1-oxo-6-(3-piperidin-4-ylpropoxy)-3,4-dihydroisoquinolin-2-yl]acetic acid
CID 10783789
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
tert-butyl 4-[3-[4-(5-aminopentanoyl)-3-fluorophenoxy]propyl]piperidine-1-carboxylate
CID 153112175
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
CID 70666352
tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate
CID 59234126
1-[[2-fluoro-4-[3-(1-propan-2-yloxycarbonylpiperidin-4-yl)propoxy]benzoyl]amino]ethylideneazanium
CID 143923615
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
2-[2,6-difluoro-4-(5-piperidin-4-ylpentoxy)phenyl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 123294445

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 71219283) is [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(OCCCC3CCNCC3)cc2F)CC1.
What is the InChIKey of [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WPTNAWGHCKUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-23-10-12-24(13-11-23)20(25)18-5-4-17(15-19(18)21)26-14-2-3-16-6-8-22-9-7-16/h4-5,15-16,22H,2-3,6-14H2,1H3.
What are the key properties of [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone?
[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 363.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71219283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).