N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

C17H26ClN3O2 — CID 119410430

IUPACN-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-12(2)15(17(22)20-10-9-14(18)11-20)19-16(21)13-7-5-4-6-8-13;/h4-8,12,14-15H,3,9-11,18H2,1-2H3,(H,19,21);1H/t12?,14-,15?;/m1./s1
InChIKeyGRBYSEYLPDOZBV-MQZCTXELSA-N
MW339.87 g/mol
LogP1.81
Rot. Bonds5

About N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 119410430) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
PubChem CID119410430
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-12(2)15(17(22)20-10-9-14(18)11-20)19-16(21)13-7-5-4-6-8-13;/h4-8,12,14-15H,3,9-11,18H2,1-2H3,(H,19,21);1H/t12?,14-,15?;/m1./s1
InChIKeyGRBYSEYLPDOZBV-MQZCTXELSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119409193
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119645390
N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
CID 94330160
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55339430
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide
CID 120500592
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (CID 119410430) is N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The InChIKey is GRBYSEYLPDOZBV-MQZCTXELSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-12(2)15(17(22)20-10-9-14(18)11-20)19-16(21)13-7-5-4-6-8-13;/h4-8,12,14-15H,3,9-11,18H2,1-2H3,(H,19,21);1H/t12?,14-,15?;/m1./s1.
What are the key properties of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119410430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).