N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

C18H30ClN3O — CID 119922495

IUPACN-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC(CNC)CC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-3-21(14-17-7-5-4-6-8-17)18(22)15-20-11-9-16(10-12-20)13-19-2;/h4-8,16,19H,3,9-15H2,1-2H3;1H
InChIKeyBTRXOBNNTOYYDD-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.39
Rot. Bonds7

About N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119922495) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119922495
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC NameN-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC(CNC)CC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-3-21(14-17-7-5-4-6-8-17)18(22)15-20-11-9-16(10-12-20)13-19-2;/h4-8,16,19H,3,9-15H2,1-2H3;1H
InChIKeyBTRXOBNNTOYYDD-UHFFFAOYSA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566899
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119922495) is N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CCN(Cc1ccccc1)C(=O)CN1CCC(CNC)CC1.Cl.
What is the InChIKey of N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is BTRXOBNNTOYYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-3-21(14-17-7-5-4-6-8-17)18(22)15-20-11-9-16(10-12-20)13-19-2;/h4-8,16,19H,3,9-15H2,1-2H3;1H.
What are the key properties of N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119922495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).