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

C11H23ClN4O2 — CID 119914462

IUPAC2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)NC(=O)NC)C1.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-12-6-9-4-3-5-15(7-9)8-10(16)14-11(17)13-2;/h9,12H,3-8H2,1-2H3,(H2,13,14,16,17);1H
InChIKeyHTNRPICSUHDBCT-UHFFFAOYSA-N
MW278.78 g/mol
LogP-0.20
Rot. Bonds4

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

2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride (PubChem CID 119914462) has the molecular formula C11H23ClN4O2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
PubChem CID119914462
Molecular FormulaC11H23ClN4O2
Molecular Weight278.78 g/mol
Exact Mass278.15
IUPAC Name2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
SMILESCNCC1CCCN(CC(=O)NC(=O)NC)C1.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-12-6-9-4-3-5-15(7-9)8-10(16)14-11(17)13-2;/h9,12H,3-8H2,1-2H3,(H2,13,14,16,17);1H
InChIKeyHTNRPICSUHDBCT-UHFFFAOYSA-N
XLogP-0.20
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 63267514
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914794
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926408
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride (CID 119914462) is 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride is CNCC1CCCN(CC(=O)NC(=O)NC)C1.Cl.
What is the InChIKey of 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
The InChIKey is HTNRPICSUHDBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.ClH/c1-12-6-9-4-3-5-15(7-9)8-10(16)14-11(17)13-2;/h9,12H,3-8H2,1-2H3,(H2,13,14,16,17);1H.
What are the key properties of 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride?
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119914462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).