N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride

C17H35Cl2N3O — CID 154898990

IUPACN-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride
SMILESCCC[C@H]1CN(CCC(=O)NC2CCCC2)C[C@@H]1N(C)C.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-4-7-14-12-20(13-16(14)19(2)3)11-10-17(21)18-15-8-5-6-9-15;;/h14-16H,4-13H2,1-3H3,(H,18,21);2*1H/t14-,16-;;/m0../s1
InChIKeyIOWBSWUNRBJOBL-UQUANJBCSA-N
MW368.39 g/mol
LogP2.94
Rot. Bonds7

About N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride

N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride (PubChem CID 154898990) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride
PubChem CID154898990
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC NameN-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride
SMILESCCC[C@H]1CN(CCC(=O)NC2CCCC2)C[C@@H]1N(C)C.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-4-7-14-12-20(13-16(14)19(2)3)11-10-17(21)18-15-8-5-6-9-15;;/h14-16H,4-13H2,1-3H3,(H,18,21);2*1H/t14-,16-;;/m0../s1
InChIKeyIOWBSWUNRBJOBL-UQUANJBCSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
2-[(3R,4S)-3-acetamido-4-propylpyrrolidin-1-yl]-N-cycloheptylacetamide
CID 72911123
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 55988325
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-cyclooctylbutanamide
CID 4614062
N-cyclohexyl-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 112628386
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
CID 63596230
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
N-cyclopentyl-3-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47358418

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride?
The IUPAC name of N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride (CID 154898990) is N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride is CCC[C@H]1CN(CCC(=O)NC2CCCC2)C[C@@H]1N(C)C.Cl.Cl.
What is the InChIKey of N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride?
The InChIKey is IOWBSWUNRBJOBL-UQUANJBCSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/c1-4-7-14-12-20(13-16(14)19(2)3)11-10-17(21)18-15-8-5-6-9-15;;/h14-16H,4-13H2,1-3H3,(H,18,21);2*1H/t14-,16-;;/m0../s1.
What are the key properties of N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride?
N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 154898990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).