2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide

C12H22N4O — CID 63847341

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)NCCC#N)C1
InChIInChI=1S/C12H22N4O/c1-10(14)11-4-2-7-16(8-11)9-12(17)15-6-3-5-13/h10-11H,2-4,6-9,14H2,1H3,(H,15,17)
InChIKeyDFDOSZSACUEHBT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.08
Rot. Bonds5

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide (PubChem CID 63847341) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
PubChem CID63847341
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)NCCC#N)C1
InChIInChI=1S/C12H22N4O/c1-10(14)11-4-2-7-16(8-11)9-12(17)15-6-3-5-13/h10-11H,2-4,6-9,14H2,1H3,(H,15,17)
InChIKeyDFDOSZSACUEHBT-UHFFFAOYSA-N
XLogP0.08
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
2-[1-[2-(2-cyanoethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683710
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 46650338
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
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
N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 113321912
2-[3-(1-aminoethyl)piperidin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide;hydrochloride
CID 119925543
ethyl 4-[[2-[3-(1-aminoethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 103976239

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide (CID 63847341) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide is CC(N)C1CCCN(CC(=O)NCCC#N)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide?
The InChIKey is DFDOSZSACUEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(14)11-4-2-7-16(8-11)9-12(17)15-6-3-5-13/h10-11H,2-4,6-9,14H2,1H3,(H,15,17).
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 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-(2-cyanoethyl)acetamide is sourced from PubChem (CID 63847341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).