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

C13H25ClN4O2 — CID 119925640

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)NC(=O)NC2CC2)C1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-9(14)10-3-2-6-17(7-10)8-12(18)16-13(19)15-11-4-5-11;/h9-11H,2-8,14H2,1H3,(H2,15,16,18,19);1H
InChIKeyYLJYJMBGMXRNGT-UHFFFAOYSA-N
MW304.82 g/mol
LogP0.46
Rot. Bonds4

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

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride (PubChem CID 119925640) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
PubChem CID119925640
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)NC(=O)NC2CC2)C1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-9(14)10-3-2-6-17(7-10)8-12(18)16-13(19)15-11-4-5-11;/h9-11H,2-8,14H2,1H3,(H2,15,16,18,19);1H
InChIKeyYLJYJMBGMXRNGT-UHFFFAOYSA-N
XLogP0.46
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690284
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride (CID 119925640) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride is CC(N)C1CCCN(CC(=O)NC(=O)NC2CC2)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
The InChIKey is YLJYJMBGMXRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-9(14)10-3-2-6-17(7-10)8-12(18)16-13(19)15-11-4-5-11;/h9-11H,2-8,14H2,1H3,(H2,15,16,18,19);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 0.46, 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-(cyclopropylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119925640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).