2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide

C13H27N3O2 — CID 82693750

IUPAC2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(OCCN)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)15-12(17)10-16-7-4-11(5-8-16)18-9-6-14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyWZKNNOQNSWZFEJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds5

About 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide

2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide (PubChem CID 82693750) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
PubChem CID82693750
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(OCCN)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)15-12(17)10-16-7-4-11(5-8-16)18-9-6-14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyWZKNNOQNSWZFEJ-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 82693316
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
CID 79736925
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
2-[4-(2-hydroxyethoxy)piperidin-1-yl]acetohydrazide
CID 82701189
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
CID 79737212
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103022562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide (CID 82693750) is 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCC(OCCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide?
The InChIKey is WZKNNOQNSWZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)15-12(17)10-16-7-4-11(5-8-16)18-9-6-14/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide?
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 82693750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).