1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride

C22H36Cl2N4O3 — CID 161168424

IUPAC1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1
InChIInChI=1S/C22H34N4O3.2ClH/c23-22(9-4-5-10-22)21(28)25-19(17-18-7-2-1-3-8-18)20(27)24-11-6-12-26-13-15-29-16-14-26;;/h1-3,7-8,19H,4-6,9-17,23H2,(H,24,27)(H,25,28);2*1H/t19-;;/m1../s1
InChIKeyUQWAJIRZXJKBAN-JQDLGSOUSA-N
MW475.46 g/mol
LogP1.67
Rot. Bonds9

About 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 161168424) has the molecular formula C22H36Cl2N4O3 and a molecular weight of 475.46 g/mol. Its IUPAC name is 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID161168424
Molecular FormulaC22H36Cl2N4O3
Molecular Weight475.46 g/mol
Exact Mass474.22
IUPAC Name1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1
InChIInChI=1S/C22H34N4O3.2ClH/c23-22(9-4-5-10-22)21(28)25-19(17-18-7-2-1-3-8-18)20(27)24-11-6-12-26-13-15-29-16-14-26;;/h1-3,7-8,19H,4-6,9-17,23H2,(H,24,27)(H,25,28);2*1H/t19-;;/m1../s1
InChIKeyUQWAJIRZXJKBAN-JQDLGSOUSA-N
XLogP1.67
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022
N-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 23625471
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
2-[(4-aminooxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 115294488
2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 42724418
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
1-amino-N-[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;6-methyl-1-benzofuran-2-carboxylic acid
CID 172838832
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-yl]carbamate
CID 69432098
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-(3-morpholin-4-ylpropylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10483050
(3R,9bS)-2,2-dimethyl-N-[(2S)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 98205494
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-morpholin-4-ylpropylamino)-1-oxohexan-2-yl]carbamate
CID 110189169

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 161168424) is 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1.
What is the InChIKey of 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is UQWAJIRZXJKBAN-JQDLGSOUSA-N. The full InChI is InChI=1S/C22H34N4O3.2ClH/c23-22(9-4-5-10-22)21(28)25-19(17-18-7-2-1-3-8-18)20(27)24-11-6-12-26-13-15-29-16-14-26;;/h1-3,7-8,19H,4-6,9-17,23H2,(H,24,27)(H,25,28);2*1H/t19-;;/m1../s1.
What are the key properties of 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 475.46 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 161168424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).