N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide

C20H30Cl2N4O2 — CID 71517047

IUPACN-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
SMILESCC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28)
InChIKeyKOKMRCHGGOOAKB-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.53
Rot. Bonds6

About N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide

N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide (PubChem CID 71517047) has the molecular formula C20H30Cl2N4O2 and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
PubChem CID71517047
Molecular FormulaC20H30Cl2N4O2
Molecular Weight429.39 g/mol
Exact Mass428.17
IUPAC NameN-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide
SMILESCC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28)
InChIKeyKOKMRCHGGOOAKB-UHFFFAOYSA-N
XLogP3.53
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide (CID 71517047) is N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide is CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
The InChIKey is KOKMRCHGGOOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide?
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide has a molecular weight of 429.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-4-yl]methyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 71517047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).