1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride

C17H25ClN2O — CID 119554243

IUPAC1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(Cc2ccccc2)CCC1)C1CCNC1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-19(15-8-11-18-13-15)16(20)17(9-5-10-17)12-14-6-3-2-4-7-14;/h2-4,6-7,15,18H,5,8-13H2,1H3;1H
InChIKeyJBQRDDJFEOOALD-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.64
Rot. Bonds4

About 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride

1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride (PubChem CID 119554243) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
PubChem CID119554243
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(Cc2ccccc2)CCC1)C1CCNC1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-19(15-8-11-18-13-15)16(20)17(9-5-10-17)12-14-6-3-2-4-7-14;/h2-4,6-7,15,18H,5,8-13H2,1H3;1H
InChIKeyJBQRDDJFEOOALD-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119552349
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119550298
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119552186
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride (CID 119554243) is 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride is CN(C(=O)C1(Cc2ccccc2)CCC1)C1CCNC1.Cl.
What is the InChIKey of 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride?
The InChIKey is JBQRDDJFEOOALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-19(15-8-11-18-13-15)16(20)17(9-5-10-17)12-14-6-3-2-4-7-14;/h2-4,6-7,15,18H,5,8-13H2,1H3;1H.
What are the key properties of 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride?
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119554243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).