[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone

C30H36ClN3O4 — CID 142747256

IUPAC[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone
SMILESCC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1
InChIInChI=1S/C30H36ClN3O4/c1-21(2)36-26-6-4-3-5-24(26)27-9-10-29(38-27)30(35)34-17-15-33(16-18-34)20-22-7-8-28(25(31)19-22)37-23-11-13-32-14-12-23/h3-10,19,21,23,32H,11-18,20H2,1-2H3
InChIKeyXQRIRXFOYKJRHF-UHFFFAOYSA-N
MW538.09 g/mol
LogP5.48
Rot. Bonds8

About [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone

[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone (PubChem CID 142747256) has the molecular formula C30H36ClN3O4 and a molecular weight of 538.09 g/mol. Its IUPAC name is [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone
PubChem CID142747256
Molecular FormulaC30H36ClN3O4
Molecular Weight538.09 g/mol
Exact Mass537.24
IUPAC Name[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone
SMILESCC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1
InChIInChI=1S/C30H36ClN3O4/c1-21(2)36-26-6-4-3-5-24(26)27-9-10-29(38-27)30(35)34-17-15-33(16-18-34)20-22-7-8-28(25(31)19-22)37-23-11-13-32-14-12-23/h3-10,19,21,23,32H,11-18,20H2,1-2H3
InChIKeyXQRIRXFOYKJRHF-UHFFFAOYSA-N
XLogP5.48
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.09
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3R,5S)-5-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxybenzoyl)amino]methyl]-1-ethylpyrrolidin-3-yl]oxybutyl]-1-benzofuran-2-carboxamide
CID 164609508
[5-(2-Chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone
CID 142747238
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 142747242
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4-difluorophenyl)furan-2-yl]methanone
CID 142747243
[5-(3-Chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone
CID 142747247
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3,5-difluorophenyl)furan-2-yl]methanone
CID 142747251
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,5-difluorophenyl)furan-2-yl]methanone
CID 142747252
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3,4-dimethoxyphenyl)furan-2-yl]methanone
CID 142747253
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3-phenylphenyl)furan-2-yl]methanone
CID 142747254
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-ethylphenyl)furan-2-yl]methanone
CID 142747255
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 142747258
[4-[(3-Chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-ethoxyphenyl)furan-2-yl]methanone
CID 142747265

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone?
The IUPAC name of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone (CID 142747256) is [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone?
The canonical SMILES for [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone is CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCN(Cc3ccc(OC4CCNCC4)c(Cl)c3)CC2)o1.
What is the InChIKey of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone?
The InChIKey is XQRIRXFOYKJRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O4/c1-21(2)36-26-6-4-3-5-24(26)27-9-10-29(38-27)30(35)34-17-15-33(16-18-34)20-22-7-8-28(25(31)19-22)37-23-11-13-32-14-12-23/h3-10,19,21,23,32H,11-18,20H2,1-2H3.
What are the key properties of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone?
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone has a molecular weight of 538.09 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone is sourced from PubChem (CID 142747256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).