N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride

C17H26ClN3O3 — CID 119491118

IUPACN-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)NC(=O)COc2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-13(17(22)20-10-6-7-14(11-20)18-2)19-16(21)12-23-15-8-4-3-5-9-15;/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3,(H,19,21);1H
InChIKeyJQVFNIOSKJMYRC-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.20
Rot. Bonds6

About N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride

N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride (PubChem CID 119491118) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
PubChem CID119491118
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)NC(=O)COc2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-13(17(22)20-10-6-7-14(11-20)18-2)19-16(21)12-23-15-8-4-3-5-9-15;/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3,(H,19,21);1H
InChIKeyJQVFNIOSKJMYRC-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119595934
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 37332784
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842663
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119490553

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride?
The IUPAC name of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride (CID 119491118) is N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride?
The canonical SMILES for N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride is CNC1CCCN(C(=O)C(C)NC(=O)COc2ccccc2)C1.Cl.
What is the InChIKey of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride?
The InChIKey is JQVFNIOSKJMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-13(17(22)20-10-6-7-14(11-20)18-2)19-16(21)12-23-15-8-4-3-5-9-15;/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride?
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride is sourced from PubChem (CID 119491118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).