N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide

C20H29Cl2N3O2 — CID 44540506

IUPACN-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
SMILESCN(C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1)C(C)(C)C
InChIInChI=1S/C20H29Cl2N3O2/c1-20(2,3)24(4)18(26)13-25-7-5-14(6-8-25)12-23-19(27)15-9-16(21)11-17(22)10-15/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,27)
InChIKeyYYNSAKDGSDLHPC-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.69
Rot. Bonds5

About N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide

N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide (PubChem CID 44540506) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
PubChem CID44540506
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC NameN-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
SMILESCN(C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1)C(C)(C)C
InChIInChI=1S/C20H29Cl2N3O2/c1-20(2,3)24(4)18(26)13-25-7-5-14(6-8-25)12-23-19(27)15-9-16(21)11-17(22)10-15/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,27)
InChIKeyYYNSAKDGSDLHPC-UHFFFAOYSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide 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-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide (CID 44540506) is N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide is CN(C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1)C(C)(C)C.
What is the InChIKey of N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
The InChIKey is YYNSAKDGSDLHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O2/c1-20(2,3)24(4)18(26)13-25-7-5-14(6-8-25)12-23-19(27)15-9-16(21)11-17(22)10-15/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,27).
What are the key properties of N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide has a molecular weight of 414.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[tert-butyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 44540506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).