N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C26H41N3O2 — CID 24816951

IUPACN-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(C)c(CN2CCC(N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1C
InChIInChI=1S/C26H41N3O2/c1-19-15-21(3)23(16-20(19)2)18-28-10-8-24(9-11-28)29-12-6-22(7-13-29)26(30)27-17-25-5-4-14-31-25/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H,27,30)
InChIKeyVFYPJBSMZCXCAL-UHFFFAOYSA-N
MW427.63 g/mol
LogP3.58
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 24816951) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID24816951
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(C)c(CN2CCC(N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1C
InChIInChI=1S/C26H41N3O2/c1-19-15-21(3)23(16-20(19)2)18-28-10-8-24(9-11-28)29-12-6-22(7-13-29)26(30)27-17-25-5-4-14-31-25/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H,27,30)
InChIKeyVFYPJBSMZCXCAL-UHFFFAOYSA-N
XLogP3.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide 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 N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 24816951) is N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is Cc1cc(C)c(CN2CCC(N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VFYPJBSMZCXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-19-15-21(3)23(16-20(19)2)18-28-10-8-24(9-11-28)29-12-6-22(7-13-29)26(30)27-17-25-5-4-14-31-25/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 427.63 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24816951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).