cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone

C20H31N3O — CID 97160771

IUPACcyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
SMILESC[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1N(C)C
InChIInChI=1S/C20H31N3O/c1-15(18-10-6-7-11-19(18)22(2)3)21-17-12-13-23(14-17)20(24)16-8-4-5-9-16/h6-7,10-11,15-17,21H,4-5,8-9,12-14H2,1-3H3/t15-,17+/m1/s1
InChIKeyBFNWKJHWAMGROS-WBVHZDCISA-N
MW329.49 g/mol
LogP3.19
Rot. Bonds5

About cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone (PubChem CID 97160771) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
PubChem CID97160771
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Namecyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
SMILESC[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1N(C)C
InChIInChI=1S/C20H31N3O/c1-15(18-10-6-7-11-19(18)22(2)3)21-17-12-13-23(14-17)20(24)16-8-4-5-9-16/h6-7,10-11,15-17,21H,4-5,8-9,12-14H2,1-3H3/t15-,17+/m1/s1
InChIKeyBFNWKJHWAMGROS-WBVHZDCISA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
CID 86779556
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 84588722
[4-[1-[2-(dimethylamino)phenyl]ethylamino]cyclohexyl]methanol
CID 84594317
[4-[[(1S)-1-[2-(dimethylamino)phenyl]ethyl]amino]cyclohexyl]methanol
CID 98567640
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 83206943
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
CID 97160739
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone (CID 97160771) is cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone is C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1N(C)C.
What is the InChIKey of cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is BFNWKJHWAMGROS-WBVHZDCISA-N. The full InChI is InChI=1S/C20H31N3O/c1-15(18-10-6-7-11-19(18)22(2)3)21-17-12-13-23(14-17)20(24)16-8-4-5-9-16/h6-7,10-11,15-17,21H,4-5,8-9,12-14H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 329.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97160771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).