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

C12H25ClN4O2 — CID 119925446

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
SMILESCCNC(=O)NC(=O)CN1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C12H24N4O2.ClH/c1-3-14-12(18)15-11(17)8-16-6-4-5-10(7-16)9(2)13;/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18);1H
InChIKeyFUOPFUOUMAVIPD-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.31
Rot. Bonds4

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

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride (PubChem CID 119925446) has the molecular formula C12H25ClN4O2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
PubChem CID119925446
Molecular FormulaC12H25ClN4O2
Molecular Weight292.81 g/mol
Exact Mass292.17
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
SMILESCCNC(=O)NC(=O)CN1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C12H24N4O2.ClH/c1-3-14-12(18)15-11(17)8-16-6-4-5-10(7-16)9(2)13;/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18);1H
InChIKeyFUOPFUOUMAVIPD-UHFFFAOYSA-N
XLogP0.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]butanoic acid
CID 81049391
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
CID 63847341

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride (CID 119925446) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride is CCNC(=O)NC(=O)CN1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride?
The InChIKey is FUOPFUOUMAVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2.ClH/c1-3-14-12(18)15-11(17)8-16-6-4-5-10(7-16)9(2)13;/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119925446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).