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

C14H30ClN3O — CID 119911978

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
SMILESCCC(C)(C)NC(=O)CN1CCCCC1C(C)N.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-5-14(3,4)16-13(18)10-17-9-7-6-8-12(17)11(2)15;/h11-12H,5-10,15H2,1-4H3,(H,16,18);1H
InChIKeyKFYBSIJLTSYZTC-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.91
Rot. Bonds5

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

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119911978) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
PubChem CID119911978
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
SMILESCCC(C)(C)NC(=O)CN1CCCCC1C(C)N.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-5-14(3,4)16-13(18)10-17-9-7-6-8-12(17)11(2)15;/h11-12H,5-10,15H2,1-4H3,(H,16,18);1H
InChIKeyKFYBSIJLTSYZTC-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
2-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255220
1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119911425
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride (CID 119911978) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride is CCC(C)(C)NC(=O)CN1CCCCC1C(C)N.Cl.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is KFYBSIJLTSYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-5-14(3,4)16-13(18)10-17-9-7-6-8-12(17)11(2)15;/h11-12H,5-10,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119911978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).