2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride

C14H30ClN3O — CID 119920920

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-10(2)12(4)16-14(18)9-17-7-5-13(6-8-17)11(3)15;/h10-13H,5-9,15H2,1-4H3,(H,16,18);1H
InChIKeyYMUCUXXYIWSVDZ-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119920920) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
PubChem CID119920920
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-10(2)12(4)16-14(18)9-17-7-5-13(6-8-17)11(3)15;/h10-13H,5-9,15H2,1-4H3,(H,16,18);1H
InChIKeyYMUCUXXYIWSVDZ-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
CID 60691255
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 63595882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride (CID 119920920) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride is CC(C)C(C)NC(=O)CN1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is YMUCUXXYIWSVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-10(2)12(4)16-14(18)9-17-7-5-13(6-8-17)11(3)15;/h10-13H,5-9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119920920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).