[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone

C30H36ClN3O3 — CID 142747239

IUPAC[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone
SMILESCc1cc(C)c(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c(C)c1
InChIInChI=1S/C30H36ClN3O3/c1-20-16-21(2)29(22(3)17-20)27-6-7-28(37-27)30(35)34-14-12-33(13-15-34)19-23-4-5-26(25(31)18-23)36-24-8-10-32-11-9-24/h4-7,16-18,24,32H,8-15,19H2,1-3H3
InChIKeyFTSQHYGVDPDFKD-UHFFFAOYSA-N
MW522.09 g/mol
LogP5.61
Rot. Bonds6

About [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone

[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone (PubChem CID 142747239) has the molecular formula C30H36ClN3O3 and a molecular weight of 522.09 g/mol. Its IUPAC name is [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone
PubChem CID142747239
Molecular FormulaC30H36ClN3O3
Molecular Weight522.09 g/mol
Exact Mass521.24
IUPAC Name[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone
SMILESCc1cc(C)c(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c(C)c1
InChIInChI=1S/C30H36ClN3O3/c1-20-16-21(2)29(22(3)17-20)27-6-7-28(37-27)30(35)34-14-12-33(13-15-34)19-23-4-5-26(25(31)18-23)36-24-8-10-32-11-9-24/h4-7,16-18,24,32H,8-15,19H2,1-3H3
InChIKeyFTSQHYGVDPDFKD-UHFFFAOYSA-N
XLogP5.61
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.09
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)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

[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(4-methylsulfanylphenyl)furan-2-yl]methanone
CID 142747299
[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-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 142747296
N-(2-bromo-4-methylphenyl)-4-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 142744619
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
1-[4-[[4-methoxy-3-[1-[4-(4-methylphenyl)benzoyl]piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 45202370
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-2-[5-(4-methoxyphenyl)furan-2-yl]acetamide
CID 142747250
1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
CID 20735197
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325278
1-[4-[(3-chloro-4-methylphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 129255637
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone?
The IUPAC name of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone (CID 142747239) is [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone?
The canonical SMILES for [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone is Cc1cc(C)c(-c2ccc(C(=O)N3CCN(Cc4ccc(OC5CCNCC5)c(Cl)c4)CC3)o2)c(C)c1.
What is the InChIKey of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone?
The InChIKey is FTSQHYGVDPDFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O3/c1-20-16-21(2)29(22(3)17-20)27-6-7-28(37-27)30(35)34-14-12-33(13-15-34)19-23-4-5-26(25(31)18-23)36-24-8-10-32-11-9-24/h4-7,16-18,24,32H,8-15,19H2,1-3H3.
What are the key properties of [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone?
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone has a molecular weight of 522.09 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2,4,6-trimethylphenyl)furan-2-yl]methanone is sourced from PubChem (CID 142747239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).