2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride

C10H21ClN4O2 — CID 119915605

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
SMILESCNC(=O)NC(=O)CN1CCCC(CN)C1.Cl
InChIInChI=1S/C10H20N4O2.ClH/c1-12-10(16)13-9(15)7-14-4-2-3-8(5-11)6-14;/h8H,2-7,11H2,1H3,(H2,12,13,15,16);1H
InChIKeyOCHZDPMSZXIXIY-UHFFFAOYSA-N
MW264.76 g/mol
LogP-0.47
Rot. Bonds3

About 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride

2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride (PubChem CID 119915605) has the molecular formula C10H21ClN4O2 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
PubChem CID119915605
Molecular FormulaC10H21ClN4O2
Molecular Weight264.76 g/mol
Exact Mass264.14
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
SMILESCNC(=O)NC(=O)CN1CCCC(CN)C1.Cl
InChIInChI=1S/C10H20N4O2.ClH/c1-12-10(16)13-9(15)7-14-4-2-3-8(5-11)6-14;/h8H,2-7,11H2,1H3,(H2,12,13,15,16);1H
InChIKeyOCHZDPMSZXIXIY-UHFFFAOYSA-N
XLogP-0.47
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80553182
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride (CID 119915605) is 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride is CNC(=O)NC(=O)CN1CCCC(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
The InChIKey is OCHZDPMSZXIXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2.ClH/c1-12-10(16)13-9(15)7-14-4-2-3-8(5-11)6-14;/h8H,2-7,11H2,1H3,(H2,12,13,15,16);1H.
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119915605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).