[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C25H32FN3O2 — CID 43922406

IUPAC[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOc1cccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1
InChIInChI=1S/C25H32FN3O2/c1-2-31-24-5-3-4-20(18-24)19-27-12-10-21(11-13-27)25(30)29-16-14-28(15-17-29)23-8-6-22(26)7-9-23/h3-9,18,21H,2,10-17,19H2,1H3
InChIKeySSEWXAKPKXNUFT-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.79
Rot. Bonds6

About [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 43922406) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID43922406
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOc1cccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1
InChIInChI=1S/C25H32FN3O2/c1-2-31-24-5-3-4-20(18-24)19-27-12-10-21(11-13-27)25(30)29-16-14-28(15-17-29)23-8-6-22(26)7-9-23/h3-9,18,21H,2,10-17,19H2,1H3
InChIKeySSEWXAKPKXNUFT-UHFFFAOYSA-N
XLogP3.79
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903661
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151325
ethyl 4-[1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate;oxalate
CID 20980140
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
CID 2846220
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 43922406) is [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCOc1cccc(CN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1.
What is the InChIKey of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is SSEWXAKPKXNUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-2-31-24-5-3-4-20(18-24)19-27-12-10-21(11-13-27)25(30)29-16-14-28(15-17-29)23-8-6-22(26)7-9-23/h3-9,18,21H,2,10-17,19H2,1H3.
What are the key properties of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 425.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43922406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).