N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride

C12H24ClN3O2 — CID 119772573

IUPACN-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
SMILESCNC(=O)CCN(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-13-11(16)5-8-15(2)12(17)9-10-3-6-14-7-4-10;/h10,14H,3-9H2,1-2H3,(H,13,16);1H
InChIKeyBFMKTEJKZRZCFJ-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.39
Rot. Bonds5

About N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride

N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride (PubChem CID 119772573) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
PubChem CID119772573
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
SMILESCNC(=O)CCN(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-13-11(16)5-8-15(2)12(17)9-10-3-6-14-7-4-10;/h10,14H,3-9H2,1-2H3,(H,13,16);1H
InChIKeyBFMKTEJKZRZCFJ-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-pyrrolidin-3-ylpropanamide
CID 103859917
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylacetamide
CID 63693325
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
N-(2-ethoxyethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 81058333
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
CID 115160396
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 64518653
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
(2R)-N-methyl-N-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119772557

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride (CID 119772573) is N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride is CNC(=O)CCN(C)C(=O)CC1CCNCC1.Cl.
What is the InChIKey of N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride?
The InChIKey is BFMKTEJKZRZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-13-11(16)5-8-15(2)12(17)9-10-3-6-14-7-4-10;/h10,14H,3-9H2,1-2H3,(H,13,16);1H.
What are the key properties of N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride?
N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 119772573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).