N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide

C16H26ClN5O — CID 71975875

IUPACN-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNc2ncc(Cl)cn2)CC1
InChIInChI=1S/C16H26ClN5O/c1-16(2,3)21-14(23)11-22-6-4-12(5-7-22)8-18-15-19-9-13(17)10-20-15/h9-10,12H,4-8,11H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyJBZOVKRXDBBMGU-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.17
Rot. Bonds5

About N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide

N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide (PubChem CID 71975875) has the molecular formula C16H26ClN5O and a molecular weight of 339.87 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide
PubChem CID71975875
Molecular FormulaC16H26ClN5O
Molecular Weight339.87 g/mol
Exact Mass339.18
IUPAC NameN-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNc2ncc(Cl)cn2)CC1
InChIInChI=1S/C16H26ClN5O/c1-16(2,3)21-14(23)11-22-6-4-12(5-7-22)8-18-15-19-9-13(17)10-20-15/h9-10,12H,4-8,11H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyJBZOVKRXDBBMGU-UHFFFAOYSA-N
XLogP2.17
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide (CID 71975875) is N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCC(CNc2ncc(Cl)cn2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide?
The InChIKey is JBZOVKRXDBBMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN5O/c1-16(2,3)21-14(23)11-22-6-4-12(5-7-22)8-18-15-19-9-13(17)10-20-15/h9-10,12H,4-8,11H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide has a molecular weight of 339.87 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71975875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).