2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide

C25H43N5O4 — CID 174320914

IUPAC2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
SMILESCNCCOCCOCCOC1CCN(c2ncc(C(=O)NC3C(C)(C)CC3(C)C)cn2)CC1
InChIInChI=1S/C25H43N5O4/c1-24(2)18-25(3,4)22(24)29-21(31)19-16-27-23(28-17-19)30-9-6-20(7-10-30)34-15-14-33-13-12-32-11-8-26-5/h16-17,20,22,26H,6-15,18H2,1-5H3,(H,29,31)
InChIKeyQDCKURMBRISVML-UHFFFAOYSA-N
MW477.65 g/mol
LogP2.27
Rot. Bonds13

About 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide

2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide (PubChem CID 174320914) has the molecular formula C25H43N5O4 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
PubChem CID174320914
Molecular FormulaC25H43N5O4
Molecular Weight477.65 g/mol
Exact Mass477.33
IUPAC Name2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
SMILESCNCCOCCOCCOC1CCN(c2ncc(C(=O)NC3C(C)(C)CC3(C)C)cn2)CC1
InChIInChI=1S/C25H43N5O4/c1-24(2)18-25(3,4)22(24)29-21(31)19-16-27-23(28-17-19)30-9-6-20(7-10-30)34-15-14-33-13-12-32-11-8-26-5/h16-17,20,22,26H,6-15,18H2,1-5H3,(H,29,31)
InChIKeyQDCKURMBRISVML-UHFFFAOYSA-N
XLogP2.27
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide 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

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 176983424
N-(2,2,4,4-tetramethylcyclobutyl)-2-[4-[2-[2-[2-[4-(4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl)phenoxy]ethoxy]ethoxy]ethoxy]piperidin-1-yl]pyrimidine-5-carboxamide
CID 171071088
2-[4-[2-(3-hydroxyazetidin-1-yl)ethyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 176982917
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 176984238
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-(2-hydroxyethoxymethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 176982435
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[2-[2-[3-[(9S)-9-[2-(ethylamino)-2-oxoethyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenoxy]ethoxy]ethoxy]piperidin-1-yl]pyrimidine-5-carboxamide
CID 171070894
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
2-[4-(5-aminopyrimidin-2-yl)piperazin-1-yl]-N-[2-(3-oxopropoxy)ethyl]pyrimidine-5-carboxamide
CID 142467636
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxamide
CID 176983003
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
2-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 155296893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide (CID 174320914) is 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide is CNCCOCCOCCOC1CCN(c2ncc(C(=O)NC3C(C)(C)CC3(C)C)cn2)CC1.
What is the InChIKey of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide?
The InChIKey is QDCKURMBRISVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O4/c1-24(2)18-25(3,4)22(24)29-21(31)19-16-27-23(28-17-19)30-9-6-20(7-10-30)34-15-14-33-13-12-32-11-8-26-5/h16-17,20,22,26H,6-15,18H2,1-5H3,(H,29,31).
What are the key properties of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide?
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 2.27, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 174320914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).