[4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C27H36N2O3 — CID 24791950

IUPAC[4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(CCC(C)N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c1-21(5-6-22-7-11-24(31-2)12-8-22)28-19-15-26(16-20-28)32-25-13-9-23(10-14-25)27(30)29-17-3-4-18-29/h7-14,21,26H,3-6,15-20H2,1-2H3
InChIKeyRNVBPAYTVGGCEJ-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.80
Rot. Bonds8

About [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24791950) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24791950
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name[4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(CCC(C)N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c1-21(5-6-22-7-11-24(31-2)12-8-22)28-19-15-26(16-20-28)32-25-13-9-23(10-14-25)27(30)29-17-3-4-18-29/h7-14,21,26H,3-6,15-20H2,1-2H3
InChIKeyRNVBPAYTVGGCEJ-UHFFFAOYSA-N
XLogP4.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24791950) is [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is COc1ccc(CCC(C)N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1.
What is the InChIKey of [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is RNVBPAYTVGGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-21(5-6-22-7-11-24(31-2)12-8-22)28-19-15-26(16-20-28)32-25-13-9-23(10-14-25)27(30)29-17-3-4-18-29/h7-14,21,26H,3-6,15-20H2,1-2H3.
What are the key properties of [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 436.60 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24791950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).