N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide

C21H33N3O — CID 171142033

IUPACN-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
SMILESCN(C)CC1CN(Cc2ccccc2)CC1NC(=O)CC1CCCC1
InChIInChI=1S/C21H33N3O/c1-23(2)14-19-15-24(13-18-10-4-3-5-11-18)16-20(19)22-21(25)12-17-8-6-7-9-17/h3-5,10-11,17,19-20H,6-9,12-16H2,1-2H3,(H,22,25)
InChIKeyPBLYRWQYRKGLKN-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.75
Rot. Bonds7

About N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide

N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide (PubChem CID 171142033) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
PubChem CID171142033
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
SMILESCN(C)CC1CN(Cc2ccccc2)CC1NC(=O)CC1CCCC1
InChIInChI=1S/C21H33N3O/c1-23(2)14-19-15-24(13-18-10-4-3-5-11-18)16-20(19)22-21(25)12-17-8-6-7-9-17/h3-5,10-11,17,19-20H,6-9,12-16H2,1-2H3,(H,22,25)
InChIKeyPBLYRWQYRKGLKN-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 91922840
1-benzyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]urea
CID 91922986
N-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 91922828
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91910962
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
CID 91922899
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
1-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopentylethanone
CID 136581394
2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
CID 91922788
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
1-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl-methylamino]-3-cyclopentyl-1-hydroxy-1-phenylpropan-2-one
CID 69368253
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 91922987

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide (CID 171142033) is N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide is CN(C)CC1CN(Cc2ccccc2)CC1NC(=O)CC1CCCC1.
What is the InChIKey of N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide?
The InChIKey is PBLYRWQYRKGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-23(2)14-19-15-24(13-18-10-4-3-5-11-18)16-20(19)22-21(25)12-17-8-6-7-9-17/h3-5,10-11,17,19-20H,6-9,12-16H2,1-2H3,(H,22,25).
What are the key properties of N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide?
N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide has a molecular weight of 343.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 171142033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).