2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride

C12H23ClN4O2 — CID 119916141

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
SMILESC=CCNC(=O)NC(=O)CN1CCCCC1CN.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-2-6-14-12(18)15-11(17)9-16-7-4-3-5-10(16)8-13;/h2,10H,1,3-9,13H2,(H2,14,15,17,18);1H
InChIKeyNOHNDABDLQSOOX-UHFFFAOYSA-N
MW290.80 g/mol
LogP0.23
Rot. Bonds5

About 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride

2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride (PubChem CID 119916141) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
PubChem CID119916141
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
SMILESC=CCNC(=O)NC(=O)CN1CCCCC1CN.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-2-6-14-12(18)15-11(17)9-16-7-4-3-5-10(16)8-13;/h2,10H,1,3-9,13H2,(H2,14,15,17,18);1H
InChIKeyNOHNDABDLQSOOX-UHFFFAOYSA-N
XLogP0.23
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 116637853
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 62014153
3-[1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidin-2-yl]propanoic acid
CID 62215982
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013
methyl 1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-2-carboxylate
CID 47129787
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 81492966
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 81492867
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride (CID 119916141) is 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride is C=CCNC(=O)NC(=O)CN1CCCCC1CN.Cl.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
The InChIKey is NOHNDABDLQSOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-2-6-14-12(18)15-11(17)9-16-7-4-3-5-10(16)8-13;/h2,10H,1,3-9,13H2,(H2,14,15,17,18);1H.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride?
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119916141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).