N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride

C15H24ClN3O — CID 119905657

IUPACN-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)N(C)Cc2ccccc2)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-16-14-8-9-18(11-14)12-15(19)17(2)10-13-6-4-3-5-7-13;/h3-7,14,16H,8-12H2,1-2H3;1H
InChIKeyIKBCDIASLAOKAR-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.36
Rot. Bonds5

About N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride

N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119905657) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119905657
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)N(C)Cc2ccccc2)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-16-14-8-9-18(11-14)12-15(19)17(2)10-13-6-4-3-5-7-13;/h3-7,14,16H,8-12H2,1-2H3;1H
InChIKeyIKBCDIASLAOKAR-UHFFFAOYSA-N
XLogP1.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-benzyl-2-[3-(methylamino)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 119919979
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773430

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119905657) is N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride is CNC1CCN(CC(=O)N(C)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is IKBCDIASLAOKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-16-14-8-9-18(11-14)12-15(19)17(2)10-13-6-4-3-5-7-13;/h3-7,14,16H,8-12H2,1-2H3;1H.
What are the key properties of N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride?
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119905657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).