(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

C24H30FN3O3 — CID 42532022

IUPAC(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C24H30FN3O3/c1-30-21-9-10-23(31-2)22(16-21)24(29)28-11-3-4-20(17-28)27-14-12-26(13-15-27)19-7-5-18(25)6-8-19/h5-10,16,20H,3-4,11-15,17H2,1-2H3/t20-/m1/s1
InChIKeyOOURECOPWXANJP-HXUWFJFHSA-N
MW427.52 g/mol
LogP3.27
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 42532022) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID42532022
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1
InChIInChI=1S/C24H30FN3O3/c1-30-21-9-10-23(31-2)22(16-21)24(29)28-11-3-4-20(17-28)27-14-12-26(13-15-27)19-7-5-18(25)6-8-19/h5-10,16,20H,3-4,11-15,17H2,1-2H3/t20-/m1/s1
InChIKeyOOURECOPWXANJP-HXUWFJFHSA-N
XLogP3.27
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
(2-chlorophenyl)-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42094356
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42532010
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 42532022) is (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is OOURECOPWXANJP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-30-21-9-10-23(31-2)22(16-21)24(29)28-11-3-4-20(17-28)27-14-12-26(13-15-27)19-7-5-18(25)6-8-19/h5-10,16,20H,3-4,11-15,17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 427.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42532022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).